[(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2,2-diphenylacetate

Formula:C22H19N3O4 Mutagenic:high Tumorigenic:none Reproductive Effective:low [(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2,2-diphenylacetate is a drug-like molecule.

MolName	[(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2,2-diphenylacetate
MolecularFormula	C22H19N3O4
Smiles	N/C(/Cc(cc1)ccc1[N+]([O-])=O)=N/OC(C(c1ccccc1)c1ccccc1)=O
InChI	InChI=1S/C22H19N3O4/c23-20(15-16-11-13-19(14-12-16)25(27)28)24-29-22(26)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,21H,15H2,(H2,23,24)
InChIK	VOHLOXVZTUDANM-UHFFFAOYSA-N
TotalMolweight	389.41
Molweight	389.41
MonoisotopicMass	389.137557
CLogP	3.6743
CLogS	-5.075
H Acceptors	7
H Donors	1
TotalSurfaceArea	301.95
Relative PSA	0.26574
PolarSurfaceArea	110.5
Druglikeness	-7.254
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	10
AcidicOxygens	1
StereoCon

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1 - [(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2,2-diphenylacetate | 2 - [(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2,2-diphenylacetate

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