4 1 2 3 4 5 6 7 8 9 10 11 12 13 14 8 7 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 5 5 5 3 14 4 12 13 4 5 6 7 8 9 10 11 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 4 5 6 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 2.5369 5.135 3.403 4.269 3.403 3.403 4.6675 3.8705 2.783 3.403 4.023 5.672 5.135 2 0.75 0.25 0.25 0.75 -0.75 0.87 1.225 1.225 -0.75 -1.37 -0.75 0.56 -0.37 0.44 3 3 1 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 22.9 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0422000000000000000000000000000000000000000000000000000000000000000001E00100800000814E180060200004002000000000000000000000000000000800000000210000000000000000010000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-aminopropan-2-ol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-amino-2-propanol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-aminopropan-2-ol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-aminopropan-2-ol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-azanylpropan-2-ol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-aminopropan-2-ol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 HXKKHQJGJAFBHI-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 75.068413911 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C3H9NO Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 75.11 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(CN)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(CN)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 46.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 75.068413911 5 1 0 1 0 0 0 0 1 -1