4-[(2Z)-2-[[4-(3-bromobenzoyl)oxyphenyl]methylidene]hydrazinyl]benzoic acid

Formula:C21H15N2O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(2Z)-2-[[4-(3-bromobenzoyl)oxyphenyl]methylidene]hydrazinyl]benzoic acid is not a drug-like molecule.

MolName	4-[(2Z)-2-[[4-(3-bromobenzoyl)oxyphenyl]methylidene]hydrazinyl]benzoic acid
MolecularFormula	C21H15N2O4Br
Smiles	OC(c(cc1)ccc1N/N=C\c(cc1)ccc1OC(c1cccc(Br)c1)=O)=O
InChI	InChI=1S/C21H15BrN2O4/c22-17-3-1-2-16(12-17)21(27)28-19-10-4-14(5-11-19)13-23-24-18-8-6-15(7-9-18)20(25)26/h1-13,24H,(H,25,26)
InChIK	CTCWLWRLCKTKKL-UHFFFAOYSA-N
TotalMolweight	439.264
Molweight	439.264
MonoisotopicMass	438.021519
CLogP	6.4817
CLogS	-5.466
H Acceptors	6
H Donors	2
TotalSurfaceArea	299.48
Relative PSA	0.24092
PolarSurfaceArea	87.99
Druglikeness	-0.1455
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.67857
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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