(E)-3-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]prop-2-enoate

Formula:C21H13N2O4 Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-3-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]prop-2-enoate is a drug-like molecule.

MolName	(E)-3-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]prop-2-enoate
MolecularFormula	C21H13N2O4
Smiles	[O-]C(/C=C/c1cn(-c2ccccc2)nc1C1=Cc(cccc2)c2OC1=O)=O
InChI	InChI=1S/C21H14N2O4/c24-19(25)11-10-15-13-23(16-7-2-1-3-8-16)22-20(15)17-12-14-6-4-5-9-18(14)27-21(17)26/h1-13H,(H,24,25)/p-1
InChIK	NVGWKXSWQUQHHS-UHFFFAOYSA-M
TotalMolweight	357.344
Molweight	357.344
MonoisotopicMass	357.087533
CLogP	-0.2863
CLogS	-3.469
H Acceptors	6
TotalSurfaceArea	271.48
Relative PSA	0.25122
PolarSurfaceArea	84.25
Druglikeness	3.4375
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.48148
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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