3-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide

Formula:C26H21N4O2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide is a drug-like molecule.

MolName	3-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
MolecularFormula	C26H21N4O2Cl
Smiles	O=C(c1cc(-c(cc2)ccc2OCc(cc2)ccc2Cl)n[nH]1)N/N=C\C=C\c1ccccc1
InChI	InChI=1S/C26H21ClN4O2/c27-22-12-8-20(9-13-22)18-33-23-14-10-21(11-15-23)24-17-25(30-29-24)26(32)31-28-16-4-7-19-5-2-1-3-6-19/h1-17H,18H2,(H,29,30)(H,31,32)
InChIK	QFRWJRDMXXIXDM-UHFFFAOYSA-N
TotalMolweight	456.932
Molweight	456.932
MonoisotopicMass	456.135303
CLogP	4.8718
CLogS	-6.465
H Acceptors	6
H Donors	2
TotalSurfaceArea	360.52
Relative PSA	0.19685
PolarSurfaceArea	79.37
Druglikeness	5.3807
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.72727
Fragments	1
Non HAtoms	33
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	6
Aromatic Nitrogens	2
StereoCon

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