[3-[(Z)-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate

Formula:C31H22N3O6Br Mutagenic:none Tumorigenic:none Reproductive Effective:high [3-[(Z)-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate is not a drug-like molecule.

MolName	[3-[(Z)-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate
MolecularFormula	C31H22N3O6Br
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C\c(cc1)cc2c1OCO2)N/N=C\c1cccc(OC(c2cccc(Br)c2)=O)c1
InChI	InChI=1S/C31H22BrN3O6/c32-24-10-5-9-23(17-24)31(38)41-25-11-4-6-21(14-25)18-33-35-30(37)26(34-29(36)22-7-2-1-3-8-22)15-20-12-13-27-28(16-20)40-19-39-27/h1-18H,19H2,(H,34,36)(H,35,37)
InChIK	PDSFNJWJUYIXSM-UHFFFAOYSA-N
TotalMolweight	612.435
Molweight	612.435
MonoisotopicMass	611.069198
CLogP	7.0854
CLogS	-8.481
H Acceptors	9
H Donors	2
TotalSurfaceArea	427.07
Relative PSA	0.24247
PolarSurfaceArea	115.32
Druglikeness	4.3154
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.4878
Fragments	1
Non HAtoms	41
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	4
Symmetricatoms	2
Amides	1
StereoCon

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1 - [3-[(Z)-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate | 2 - [3-[(Z)-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate

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