[2-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate

Formula:C29H27N4O5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.

MolName	[2-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
MolecularFormula	C29H27N4O5Cl
Smiles	O=C(C(N/N=C\c(cccc1)c1OC(c(cc1)ccc1Cl)=O)=O)Nc(cccc1)c1C(NC1CCCCC1)=O
InChI	InChI=1S/C29H27ClN4O5/c30-21-16-14-19(15-17-21)29(38)39-25-13-7-4-8-20(25)18-31-34-28(37)27(36)33-24-12-6-5-11-23(24)26(35)32-22-9-2-1-3-10-22/h4-8,11-18,22H,1-3,9-10H2,(H,32,35)(H,33,36)(H,34,37)
InChIK	PYTFEDNLZKYPSU-UHFFFAOYSA-N
TotalMolweight	547.009
Molweight	547.009
MonoisotopicMass	546.166998
CLogP	5.1749
CLogS	-7.31
H Acceptors	9
H Donors	3
TotalSurfaceArea	416.14
Relative PSA	0.25965
PolarSurfaceArea	125.96
Druglikeness	-0.73762
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide
Shape Index	0.58974
Fragments	1
Non HAtoms	39
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	7
Symmetricatoms	4
Amides	2
StereoCon

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1 - [2-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate | 2 - [2-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate

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