N-[(Z)-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2-(5-cyano-6-oxo-3,4-diphenylpyridazin-1-yl)acetamide

Formula:C35H24N7O2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:low N-[(Z)-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2-(5-cyano-6-oxo-3,4-diphenylpyridazin-1-yl)acetamide is not a drug-like molecule.

MolName	N-[(Z)-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2-(5-cyano-6-oxo-3,4-diphenylpyridazin-1-yl)acetamide
MolecularFormula	C35H24N7O2Cl
Smiles	N#CC1=C(c2ccccc2)C(c2ccccc2)=NN(CC(N/N=C\c2cn(-c3ccccc3)nc2-c(cc2)ccc2Cl)=O)C1=O
InChI	InChI=1S/C35H24ClN7O2/c36-28-18-16-26(17-19-28)33-27(22-42(40-33)29-14-8-3-9-15-29)21-38-39-31(44)23-43-35(45)30(20-37)32(24-10-4-1-5-11-24)34(41-43)25-12-6-2-7-13-25/h1-19,21-22H,23H2,(H,39,44)
InChIK	KUNZIYFWTOXFCD-UHFFFAOYSA-N
TotalMolweight	610.076
Molweight	610.076
MonoisotopicMass	609.168
CLogP	4.8088
CLogS	-7.609
H Acceptors	9
H Donors	1
TotalSurfaceArea	465.56
Relative PSA	0.20515
PolarSurfaceArea	115.74
Druglikeness	2.9556
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	twice activated DB; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.44444
Fragments	1
Non HAtoms	45
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	1
Symmetricatoms	8
Aromatic Nitrogens	2
StereoCon

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