[3-[(Z)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate

Formula:C23H16N3O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none [3-[(Z)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate is a drug-like molecule.

MolName	[3-[(Z)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate
MolecularFormula	C23H16N3O4Br
Smiles	N#Cc(cccc1)c1OCC(N/N=C\c1cccc(OC(c2cccc(Br)c2)=O)c1)=O
InChI	InChI=1S/C23H16BrN3O4/c24-19-8-4-7-17(12-19)23(29)31-20-9-3-5-16(11-20)14-26-27-22(28)15-30-21-10-2-1-6-18(21)13-25/h1-12,14H,15H2,(H,27,28)
InChIK	CIKBVIBDVFHPFY-UHFFFAOYSA-N
TotalMolweight	478.301
Molweight	478.301
MonoisotopicMass	477.032418
CLogP	4.7678
CLogS	-6.578
H Acceptors	7
H Donors	1
TotalSurfaceArea	338.6
Relative PSA	0.24398
PolarSurfaceArea	100.78
Druglikeness	-2.1011
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
StereoCon

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