4-[(E)-indol-3-ylidenemethyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxylic acid

Formula:C19H13N3O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(E)-indol-3-ylidenemethyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxylic acid is a drug-like molecule.

MolName	4-[(E)-indol-3-ylidenemethyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxylic acid
MolecularFormula	C19H13N3O3
Smiles	OC(C(NN1c2ccccc2)=C(/C=C2\c(cccc3)c3N=C2)C1=O)=O
InChI	InChI=1S/C19H13N3O3/c23-18-15(10-12-11-20-16-9-5-4-8-14(12)16)17(19(24)25)21-22(18)13-6-2-1-3-7-13/h1-11,21H,(H,24,25)
InChIK	ABBUJCCKGGFIAB-UHFFFAOYSA-N
TotalMolweight	331.33
Molweight	331.33
MonoisotopicMass	331.095692
CLogP	0.6979
CLogS	-2.702
H Acceptors	6
H Donors	2
TotalSurfaceArea	242.02
Relative PSA	0.27147
PolarSurfaceArea	82
Druglikeness	4.9494
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52
Fragments	1
Non HAtoms	25
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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