[2-[(Z)-[[(Z)-2-benzamido-3-(4-nitrophenyl)prop-2-enoyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate

Formula:C30H21N5O8 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[(Z)-[[(Z)-2-benzamido-3-(4-nitrophenyl)prop-2-enoyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate is not a drug-like molecule.

MolName	[2-[(Z)-[[(Z)-2-benzamido-3-(4-nitrophenyl)prop-2-enoyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
MolecularFormula	C30H21N5O8
Smiles	[O-][N+](c1ccc(/C=C(/C(N/N=C\c(cccc2)c2OC(c(cc2)ccc2[N+]([O-])=O)=O)=O)\NC(c2ccccc2)=O)cc1)=O
InChI	InChI=1S/C30H21N5O8/c36-28(21-6-2-1-3-7-21)32-26(18-20-10-14-24(15-11-20)34(39)40)29(37)33-31-19-23-8-4-5-9-27(23)43-30(38)22-12-16-25(17-13-22)35(41)42/h1-19H,(H,32,36)(H,33,37)
InChIK	YMYWFKNSYNFIID-UHFFFAOYSA-N
TotalMolweight	579.524
Molweight	579.524
MonoisotopicMass	579.139015
CLogP	4.4056
CLogS	-7.856
H Acceptors	13
H Donors	2
TotalSurfaceArea	435.52
Relative PSA	0.33153
PolarSurfaceArea	188.5
Druglikeness	1.108
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.51163
Fragments	1
Non HAtoms	43
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	11
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	3
Symmetricatoms	6
Amides	1
AcidicOxygens	2
StereoCon

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1 - [2-[(Z)-[[(Z)-2-benzamido-3-(4-nitrophenyl)prop-2-enoyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate | 2 - [2-[(Z)-[[(Z)-2-benzamido-3-(4-nitrophenyl)prop-2-enoyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate

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