4105110 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 8 7 7 7 7 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 2 2 2 3 3 4 4 4 5 5 6 6 6 7 7 8 8 8 9 10 10 12 12 13 13 14 15 15 16 16 16 17 17 18 18 19 19 20 20 21 11 3 6 25 9 26 5 11 31 15 16 7 8 22 9 10 11 23 24 12 13 27 14 28 14 29 30 17 18 32 33 34 19 35 20 36 21 37 21 38 39 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 2 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 6 2 7 8 22 3 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 6.6353 5.2619 4.6783 6.2781 7.2566 4.6783 3.732 4.9889 3.732 2.866 5.9674 2.866 2 2 7.5673 7.9244 8.5458 6.8994 8.8564 7.2101 8.1886 5.2908 4.9684 4.3751 5.8819 4.8709 2.866 2.866 1.4631 1.4631 5.864 7.463 8.3385 8.3859 8.9598 6.2928 9.4631 6.796 8.3812 -1.0707 -2.2879 -3.0926 0.6241 0.8304 -1.4831 -1.7879 -0.5326 -2.7879 -1.2879 -0.3264 -3.2879 -1.7879 -2.7879 1.7809 0.0861 1.9871 2.5252 2.9376 3.4757 3.6819 -1.3869 0.0871 -0.4453 -2.2879 -3.6819 -0.6679 -3.9079 -1.4779 -3.0979 1.0856 -0.328 -0.3754 0.5001 1.5256 2.3973 3.0655 3.9372 4.2712 3 8 8 8 8 8 8 8 8 8 8 8 8 6 7 7 9 10 12 13 15 15 17 18 19 20 8 9 10 12 13 14 14 17 18 19 20 21 21 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 356 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 3 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371E07BA000000000000000000000000000000160000000306000000000000058014000001E00180000000C28C1980432C0826200008802255250008204002102021AA88108648808203AC0D19184200860900048C8071889809E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 2-(2,3-dihydro-1H-indazol-3-yl)-N'-methyl-N'-phenyl-acetohydrazide IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 2-(2,3-dihydro-1H-indazol-3-yl)-N'-methyl-N'-phenylacetohydrazide IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 2-(2,3-dihydro-1H-indazol-3-yl)-N'-methyl-N'-phenylacetohydrazide IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 2-(2,3-dihydro-1H-indazol-3-yl)-N'-methyl-N'-phenyl-ethanehydrazide IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 2-indazolin-3-yl-N'-methyl-N'-phenyl-acetohydrazide InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C16H18N4O/c1-20(12-7-3-2-4-8-12)19-16(21)11-15-13-9-5-6-10-14(13)17-18-15/h2-10,15,17-18H,11H2,1H3,(H,19,21) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 NHNLKNRDMZCQJR-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 2.5 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 282.148061 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C16H18N4O Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 282.34032 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CN(C1=CC=CC=C1)NC(=O)CC2C3=CC=CC=C3NN2 SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CN(C1=CC=CC=C1)NC(=O)CC2C3=CC=CC=C3NN2 Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 56.4 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 282.148061 21 1 0 1 0 0 0 0 1 2