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

Formula:C29H26N4O5BrCl Mutagenic:high Tumorigenic:none Reproductive Effective:none [4-bromo-2-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate is not a drug-like molecule.

MolName	[4-bromo-2-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
MolecularFormula	C29H26N4O5BrCl
Smiles	O=C(C(N/N=C\c(cc(cc1)Br)c1OC(c(cccc1)c1Cl)=O)=O)Nc(cccc1)c1C(NC1CCCCC1)=O
InChI	InChI=1S/C29H26BrClN4O5/c30-19-14-15-25(40-29(39)21-10-4-6-12-23(21)31)18(16-19)17-32-35-28(38)27(37)34-24-13-7-5-11-22(24)26(36)33-20-8-2-1-3-9-20/h4-7,10-17,20H,1-3,8-9H2,(H,33,36)(H,34,37)(H,35,38)
InChIK	SQSQMIQALWWAHU-UHFFFAOYSA-N
TotalMolweight	625.905
Molweight	625.905
MonoisotopicMass	624.077509
CLogP	5.9001
CLogS	-8.144
H Acceptors	9
H Donors	3
TotalSurfaceArea	434.77
Relative PSA	0.24852
PolarSurfaceArea	125.96
Druglikeness	-2.5276
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide
Shape Index	0.55
Fragments	1
Non HAtoms	40
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	7
Symmetricatoms	2
Amides	2
StereoCon

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

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