4-[(Z)-[[2-(4-bromonaphthalen-1-yl)acetyl]hydrazinylidene]methyl]benzoic acid

Formula:C20H15N2O3Br Mutagenic:none Tumorigenic:high Reproductive Effective:none 4-[(Z)-[[2-(4-bromonaphthalen-1-yl)acetyl]hydrazinylidene]methyl]benzoic acid is a drug-like molecule.

MolName	4-[(Z)-[[2-(4-bromonaphthalen-1-yl)acetyl]hydrazinylidene]methyl]benzoic acid
MolecularFormula	C20H15N2O3Br
Smiles	OC(c1ccc(/C=N\NC(Cc(c2ccccc22)ccc2Br)=O)cc1)=O
InChI	InChI=1S/C20H15BrN2O3/c21-18-10-9-15(16-3-1-2-4-17(16)18)11-19(24)23-22-12-13-5-7-14(8-6-13)20(25)26/h1-10,12H,11H2,(H,23,24)(H,25,26)
InChIK	ITTMNGGKYAAUFE-UHFFFAOYSA-N
TotalMolweight	411.254
Molweight	411.254
MonoisotopicMass	410.026604
CLogP	4.6044
CLogS	-6.139
H Acceptors	5
H Donors	2
TotalSurfaceArea	278.08
Relative PSA	0.2235
PolarSurfaceArea	78.76
Druglikeness	2.3528
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	2
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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