[2-[(E)-3-[2-(4-nitrobenzoyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl] benzoate

Formula:C23H17N3O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[(E)-3-[2-(4-nitrobenzoyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl] benzoate is a drug-like molecule.

MolName	[2-[(E)-3-[2-(4-nitrobenzoyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl] benzoate
MolecularFormula	C23H17N3O6
Smiles	[O-][N+](c(cc1)ccc1C(NNC(/C=C/c(cccc1)c1OC(c1ccccc1)=O)=O)=O)=O
InChI	InChI=1S/C23H17N3O6/c27-21(24-25-22(28)17-10-13-19(14-11-17)26(30)31)15-12-16-6-4-5-9-20(16)32-23(29)18-7-2-1-3-8-18/h1-15H,(H,24,27)(H,25,28)
InChIK	NFCXXYSPVUJIIQ-UHFFFAOYSA-N
TotalMolweight	431.403
Molweight	431.403
MonoisotopicMass	431.111737
CLogP	2.4557
CLogS	-5.61
H Acceptors	9
H Donors	2
TotalSurfaceArea	329.12
Relative PSA	0.31132
PolarSurfaceArea	130.32
Druglikeness	-4.6072
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.625
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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