3-[3-[(4-chlorophenyl)methoxy]phenyl]-N-[(Z)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide

Formula:C22H17N4O3Cl Mutagenic:high Tumorigenic:none Reproductive Effective:none 3-[3-[(4-chlorophenyl)methoxy]phenyl]-N-[(Z)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide is a drug-like molecule.

MolName	3-[3-[(4-chlorophenyl)methoxy]phenyl]-N-[(Z)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
MolecularFormula	C22H17N4O3Cl
Smiles	O=C(c1cc(-c2cccc(OCc(cc3)ccc3Cl)c2)n[nH]1)N/N=C\c1ccco1
InChI	InChI=1S/C22H17ClN4O3/c23-17-8-6-15(7-9-17)14-30-18-4-1-3-16(11-18)20-12-21(26-25-20)22(28)27-24-13-19-5-2-10-29-19/h1-13H,14H2,(H,25,26)(H,27,28)
InChIK	JTEUWAALCDAPPK-UHFFFAOYSA-N
TotalMolweight	420.855
Molweight	420.855
MonoisotopicMass	420.098918
CLogP	4.0422
CLogS	-5.855
H Acceptors	7
H Donors	2
TotalSurfaceArea	323.71
Relative PSA	0.26283
PolarSurfaceArea	92.51
Druglikeness	5.0766
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.66667
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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