3-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(Z)-naphthalen-1-ylmethylideneamino]-1H-pyrazole-5-carboxamide

Formula:C28H21N4O2Cl Mutagenic:none Tumorigenic:high Reproductive Effective:none 3-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(Z)-naphthalen-1-ylmethylideneamino]-1H-pyrazole-5-carboxamide is not a drug-like molecule.

MolName	3-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(Z)-naphthalen-1-ylmethylideneamino]-1H-pyrazole-5-carboxamide
MolecularFormula	C28H21N4O2Cl
Smiles	O=C(c1cc(-c(cc2)ccc2OCc(cc2)ccc2Cl)n[nH]1)N/N=C\c1cccc2ccccc12
InChI	InChI=1S/C28H21ClN4O2/c29-23-12-8-19(9-13-23)18-35-24-14-10-21(11-15-24)26-16-27(32-31-26)28(34)33-30-17-22-6-3-5-20-4-1-2-7-25(20)22/h1-17H,18H2,(H,31,32)(H,33,34)
InChIK	JVFLAYVPPUVJTD-UHFFFAOYSA-N
TotalMolweight	480.954
Molweight	480.954
MonoisotopicMass	480.135303
CLogP	6.0479
CLogS	-7.779
H Acceptors	6
H Donors	2
TotalSurfaceArea	368.62
Relative PSA	0.19253
PolarSurfaceArea	79.37
Druglikeness	5.365
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.65714
Fragments	1
Non HAtoms	35
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	2
StereoCon

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