1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dichlorophenyl)-N-[(E)-2,3-dihydroinden-1-ylideneamino]triazole-4-carboxamide

Formula:C20H14N8O2Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dichlorophenyl)-N-[(E)-2,3-dihydroinden-1-ylideneamino]triazole-4-carboxamide is a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dichlorophenyl)-N-[(E)-2,3-dihydroinden-1-ylideneamino]triazole-4-carboxamide
MolecularFormula	C20H14N8O2Cl2
Smiles	Nc1nonc1-n1nnc(C(N/N=C(\CC2)/c3c2cccc3)=O)c1-c(cc1)cc(Cl)c1Cl
InChI	InChI=1S/C20H14Cl2N8O2/c21-13-7-5-11(9-14(13)22)17-16(25-29-30(17)19-18(23)27-32-28-19)20(31)26-24-15-8-6-10-3-1-2-4-12(10)15/h1-5,7,9H,6,8H2,(H2,23,27)(H,26,31)
InChIK	ZADUTLDMZLCMNZ-UHFFFAOYSA-N
TotalMolweight	469.291
Molweight	469.291
MonoisotopicMass	468.061676
CLogP	4.9883
CLogS	-5.357
H Acceptors	10
H Donors	2
TotalSurfaceArea	332.03
Relative PSA	0.34979
PolarSurfaceArea	137.11
Druglikeness	0.17032
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Aromatic Nitrogens	5
StereoCon

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1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dichlorophenyl)-N-[(E)-2,3-dihydroinden-1-ylideneamino]triazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dichlorophenyl)-N-[(E)-2,3-dihydroinden-1-ylideneamino]triazole-4-carboxamide

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