[2-benzoyloxy-4-[(Z)-[[2-(4-bromonaphthalen-1-yl)acetyl]hydrazinylidene]methyl]phenyl] benzoate

Formula:C33H23N2O5Br Mutagenic:none Tumorigenic:high Reproductive Effective:none [2-benzoyloxy-4-[(Z)-[[2-(4-bromonaphthalen-1-yl)acetyl]hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.

MolName	[2-benzoyloxy-4-[(Z)-[[2-(4-bromonaphthalen-1-yl)acetyl]hydrazinylidene]methyl]phenyl] benzoate
MolecularFormula	C33H23N2O5Br
Smiles	O=C(Cc(c1ccccc11)ccc1Br)N/N=C\c(cc1)cc(OC(c2ccccc2)=O)c1OC(c1ccccc1)=O
InChI	InChI=1S/C33H23BrN2O5/c34-28-17-16-25(26-13-7-8-14-27(26)28)20-31(37)36-35-21-22-15-18-29(40-32(38)23-9-3-1-4-10-23)30(19-22)41-33(39)24-11-5-2-6-12-24/h1-19,21H,20H2,(H,36,37)
InChIK	KGTFAZCFAXOXBY-UHFFFAOYSA-N
TotalMolweight	607.459
Molweight	607.459
MonoisotopicMass	606.079034
CLogP	7.9803
CLogS	-9.066
H Acceptors	7
H Donors	1
TotalSurfaceArea	429
Relative PSA	0.19135
PolarSurfaceArea	94.06
Druglikeness	2.239
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.4878
Fragments	1
Non HAtoms	41
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	10
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	28
Sp3Atoms	3
Symmetricatoms	4
StereoCon

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