[4-[(Z)-[[1-[(4-chlorophenyl)methyl]pyrazole-3-carbonyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate

Formula:C27H18N4O3Cl2S Mutagenic:high Tumorigenic:none Reproductive Effective:none [4-[(Z)-[[1-[(4-chlorophenyl)methyl]pyrazole-3-carbonyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate is not a drug-like molecule.

MolName	[4-[(Z)-[[1-[(4-chlorophenyl)methyl]pyrazole-3-carbonyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate
MolecularFormula	C27H18N4O3Cl2S
Smiles	O=C(c1nn(Cc(cc2)ccc2Cl)cc1)N/N=C\c(cc1)ccc1OC(c(sc1c2cccc1)c2Cl)=O
InChI	InChI=1S/C27H18Cl2N4O3S/c28-19-9-5-18(6-10-19)16-33-14-13-22(32-33)26(34)31-30-15-17-7-11-20(12-8-17)36-27(35)25-24(29)21-3-1-2-4-23(21)37-25/h1-15H,16H2,(H,31,34)
InChIK	JBUFWNIVTOXOFJ-UHFFFAOYSA-N
TotalMolweight	549.437
Molweight	549.437
MonoisotopicMass	548.047665
CLogP	6.2391
CLogS	-7.593
H Acceptors	7
H Donors	1
TotalSurfaceArea	397.36
Relative PSA	0.24474
PolarSurfaceArea	113.82
Druglikeness	7.9429
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde; 3-halo-enone
Shape Index	0.64865
Fragments	1
Non HAtoms	37
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	26
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	2
StereoCon

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1 - [4-[(Z)-[[1-[(4-chlorophenyl)methyl]pyrazole-3-carbonyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate | 2 - [4-[(Z)-[[1-[(4-chlorophenyl)methyl]pyrazole-3-carbonyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate

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