5-[(2Z)-2-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-chlorobenzoic acid

Formula:C21H15N2O3BrCl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 5-[(2Z)-2-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-chlorobenzoic acid is not a drug-like molecule.

MolName	5-[(2Z)-2-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-chlorobenzoic acid
MolecularFormula	C21H15N2O3BrCl2
Smiles	OC(c(cc(cc1)N/N=C\c(cc(cc2)Br)c2OCc(cccc2)c2Cl)c1Cl)=O
InChI	InChI=1S/C21H15BrCl2N2O3/c22-15-5-8-20(29-12-13-3-1-2-4-18(13)23)14(9-15)11-25-26-16-6-7-19(24)17(10-16)21(27)28/h1-11,26H,12H2,(H,27,28)
InChIK	OASQKLFGJJPEET-UHFFFAOYSA-N
TotalMolweight	494.171
Molweight	494.171
MonoisotopicMass	491.964308
CLogP	7.6113
CLogS	-6.809
H Acceptors	5
H Donors	2
TotalSurfaceArea	326.33
Relative PSA	0.18114
PolarSurfaceArea	70.92
Druglikeness	-0.18603
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
AcidicOxygens	1
StereoCon

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