3876375 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 5 5 6 6 6 7 7 8 8 9 9 9 10 11 12 12 13 13 14 14 15 15 16 16 17 17 18 18 19 19 20 20 21 22 23 24 24 23 42 25 43 5 6 30 10 11 7 8 9 26 27 10 13 11 14 12 28 29 15 16 17 18 19 31 20 32 21 33 22 34 23 35 24 36 21 37 22 38 39 40 25 25 41 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 2 1 1 1 1 2 2 1 2 1 1 1 2 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 8.9962 8.9962 4.666 4.666 4.666 5.5321 5.5321 3.8 5.5321 5.5321 3.8 6.3981 6.426 2.9061 6.426 2.9061 7.2641 6.3981 7.3321 2 7.3321 2 8.1301 7.2641 8.1301 5.7441 6.1426 5.32 4.9215 4.1291 6.4188 2.9132 6.4188 2.9132 7.2641 5.8612 7.8678 1.4643 7.8678 1.4643 7.2641 9.5331 8.9962 0.9573 2.9573 -0.5427 -3.5427 -1.5427 -0.0427 -2.0427 -2.0427 0.9573 -3.0427 -3.0427 1.4573 -1.508 -1.508 -3.5773 -3.5773 0.9573 2.4573 -2.0218 -2.0218 -3.0635 -3.0635 1.4573 2.9573 2.4573 -0.6253 0.065 1.5399 0.8497 -0.2327 -0.888 -0.888 -4.1973 -4.1973 0.3373 2.7673 -1.7098 -1.7098 -3.3756 -3.3756 3.5773 1.2673 3.5773 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 7 7 8 8 10 11 12 12 13 14 15 16 17 18 19 20 23 24 10 11 7 8 10 13 11 14 15 16 17 18 19 20 21 22 23 24 21 22 25 25 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 410 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B30000000000000000000000000000000000000003C60C1000000000000B1FC00001E00100800000C0CC19E0430C6F2C81200A003246244008280202122200898A03EEC980926E2C2D1D384740964D011C9D80790D0F20E20000100000240004000020000048000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[2-(acridin-9-ylamino)ethyl]benzene-1,2-diol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[2-(9-acridinylamino)ethyl]benzene-1,2-diol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[2-(acridin-9-ylamino)ethyl]benzene-1,2-diol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[2-(acridin-9-ylamino)ethyl]benzene-1,2-diol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[2-(acridin-9-ylamino)ethyl]benzene-1,2-diol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[2-(acridin-9-ylamino)ethyl]pyrocatechol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C21H18N2O2/c24-19-10-9-14(13-20(19)25)11-12-22-21-15-5-1-3-7-17(15)23-18-8-4-2-6-16(18)21/h1-10,13,24-25H,11-12H2,(H,22,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 STUOPEPXUXASBM-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 330.136827821 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C21H18N2O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 330.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCC4=CC(=C(C=C4)O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCC4=CC(=C(C=C4)O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 65.4 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 330.136827821 25 0 0 0 0 0 0 0 1 -1