3-(4-fluorophenyl)-N-[(Z)-(4-oxochromen-3-yl)methylideneamino]-1-phenylpyrazole-4-carboxamide

Formula:C26H17N4O3F Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(4-fluorophenyl)-N-[(Z)-(4-oxochromen-3-yl)methylideneamino]-1-phenylpyrazole-4-carboxamide is a drug-like molecule.

MolName	3-(4-fluorophenyl)-N-[(Z)-(4-oxochromen-3-yl)methylideneamino]-1-phenylpyrazole-4-carboxamide
MolecularFormula	C26H17N4O3F
Smiles	O=C(c1cn(-c2ccccc2)nc1-c(cc1)ccc1F)N/N=C\C1=COc(cccc2)c2C1=O
InChI	InChI=1S/C26H17FN4O3/c27-19-12-10-17(11-13-19)24-22(15-31(30-24)20-6-2-1-3-7-20)26(33)29-28-14-18-16-34-23-9-5-4-8-21(23)25(18)32/h1-16H,(H,29,33)
InChIK	IHEHFNKVTIRBEP-UHFFFAOYSA-N
TotalMolweight	452.444
Molweight	452.444
MonoisotopicMass	452.128469
CLogP	3.3388
CLogS	-6.098
H Acceptors	7
H Donors	1
TotalSurfaceArea	339.78
Relative PSA	0.22629
PolarSurfaceArea	85.58
Druglikeness	4.9104
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	1
Symmetricatoms	4
Aromatic Nitrogens	2
StereoCon

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