23516940 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 17 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 5 5 5 6 6 7 7 9 9 10 11 11 11 12 13 13 14 14 15 16 15 8 6 11 20 8 10 21 6 7 8 9 17 18 10 13 12 19 14 12 22 23 24 15 25 16 26 16 27 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 2 1 2 1 1 1 5 6 8 7 9 2 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 2 7.2648 6.3707 6.0047 5.5047 6.3707 4.6957 6.3137 4.6387 5.0047 5.5047 4.6387 3.6803 4.3197 2.9773 3.2992 6.9813 6.5828 4.1017 6.9077 6.3691 5.1062 5.9032 4.1017 3.4955 4.5181 2.8861 0.7508 0.117 -1.6618 1.3771 -0.1618 -0.6618 0.426 0.426 -0.6618 1.3771 -2.1618 -1.6618 0.1937 2.1618 0.9624 1.9531 -0.7695 -0.0792 -0.3518 -1.9718 1.8786 -2.6367 -2.6367 -1.9718 -0.3981 2.7492 2.4154 6 8 8 8 8 8 8 5 7 7 10 13 14 15 6 10 13 14 15 16 16 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 344 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C0732000040000000000000000000000000160000000304000000000000058010000001E02100000000E0AC1982430C082C0000088022552500082000021070008888108668808203AC1D791842008609400C8C8071C88C08F80004020000200000000804000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3S)-5'-chlorospiro[2,6-dihydro-1H-pyridine-3,3'-indoline]-2'-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3S)-5-chloro-2-spiro[1H-indole-3,3'-2,6-dihydro-1H-pyridine]one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3<I>S</I>)-5-chlorospiro[1<I>H</I>-indole-3,3&apos;-2,6-dihydro-1<I>H</I>-pyridine]-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3S)-5-chlorospiro[1H-indole-3,3'-2,6-dihydro-1H-pyridine]-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3S)-5-chloranylspiro[1H-indole-3,3'-2,6-dihydro-1H-pyridine]-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3S)-5'-chlorospiro[2,6-dihydro-1H-pyridine-3,3'-indoline]-2'-one InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C12H11ClN2O/c13-8-2-3-10-9(6-8)12(11(16)15-10)4-1-5-14-7-12/h1-4,6,14H,5,7H2,(H,15,16)/t12-/m1/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 QEUGNJMJQWOZQJ-GFCCVEGCSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 234.0559907 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C12H11ClN2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 234.68 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1C=CC2(CN1)C3=C(C=CC(=C3)Cl)NC2=O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1C=C[C@@]2(CN1)C3=C(C=CC(=C3)Cl)NC2=O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 41.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 234.0559907 16 1 1 0 0 0 0 0 1 -1