[4-[(Z)-[[1-[(4-chlorophenyl)methyl]pyrazole-3-carbonyl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate

Formula:C25H18N4O3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(Z)-[[1-[(4-chlorophenyl)methyl]pyrazole-3-carbonyl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate is not a drug-like molecule.

MolName	[4-[(Z)-[[1-[(4-chlorophenyl)methyl]pyrazole-3-carbonyl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate
MolecularFormula	C25H18N4O3Cl2
Smiles	O=C(c1nn(Cc(cc2)ccc2Cl)cc1)N/N=C\c(cc1)ccc1OC(c1cccc(Cl)c1)=O
InChI	InChI=1S/C25H18Cl2N4O3/c26-20-8-4-18(5-9-20)16-31-13-12-23(30-31)24(32)29-28-15-17-6-10-22(11-7-17)34-25(33)19-2-1-3-21(27)14-19/h1-15H,16H2,(H,29,32)
InChIK	HQIYOLHBRABEPY-UHFFFAOYSA-N
TotalMolweight	493.349
Molweight	493.349
MonoisotopicMass	492.075595
CLogP	5.3179
CLogS	-6.244
H Acceptors	7
H Donors	1
TotalSurfaceArea	366.82
Relative PSA	0.20961
PolarSurfaceArea	85.58
Druglikeness	6.873
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.67647
Fragments	1
Non HAtoms	34
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	2
StereoCon

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