150314 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 2 2 2 3 3 5 5 5 6 6 7 8 9 9 10 10 11 11 12 13 13 14 15 4 4 7 8 12 15 6 7 9 8 11 10 12 13 16 14 17 15 18 19 14 20 21 22 2 1 1 1 2 1 1 1 2 2 1 2 1 1 1 1 1 2 1 1 2 1 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 5.3934 4.5274 2 4.5274 5.0274 4.0274 5.3364 3.7183 5.7123 6.3518 3.3424 2.7029 6.7328 7.0547 2.3219 5.5139 6.5365 3.5408 2.5182 7.1459 7.6607 1.9088 1.9118 0.4118 -0.7124 1.4118 -1.1271 -1.1271 -0.176 -0.176 -1.9118 0.0563 -1.9118 0.0563 -1.7031 -0.7124 -1.7031 -2.4992 0.6481 -2.4992 0.6481 -2.1654 -0.5812 -2.1654 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 3 3 5 5 5 6 6 7 8 9 10 11 13 7 8 12 15 6 7 9 8 11 10 12 13 14 15 14 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 258 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 0 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371807320000000000000000000000000000001600000003C400000000000005801FE00001C000C0000000C08C11E043CC0F2081000A1033467440082842431122018D8203874980860E2C09191942008608000C8C8071080C00E80000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 9-nitrosopyrido[3,4-b]indole IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 9-nitrosopyrido[3,4-b]indole IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 9-nitrosopyrido[3,4-b]indole IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 9-nitrosopyrido[3,4-b]indole IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 9-nitroso-$b-carboline InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C11H7N3O/c15-13-14-10-4-2-1-3-8(10)9-5-6-12-7-11(9)14/h1-7H InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 VSNRUKCCLMSUAK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 2.1 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 197.058912 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C11H7N3O Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 197.19278 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CC=C2C(=C1)C3=C(N2N=O)C=NC=C3 SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CC=C2C(=C1)C3=C(N2N=O)C=NC=C3 Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 47.2 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 197.058912 15 0 0 0 0 0 0 0 1 1