(E)-4-oxo-4-(2-pyrrol-1-ylanilino)but-2-enoic acid

Formula:C14H12N2O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-oxo-4-(2-pyrrol-1-ylanilino)but-2-enoic acid is a drug-like molecule.

MolName	(E)-4-oxo-4-(2-pyrrol-1-ylanilino)but-2-enoic acid
MolecularFormula	C14H12N2O3
Smiles	OC(/C=C/C(Nc(cccc1)c1-n1cccc1)=O)=O
InChI	InChI=1S/C14H12N2O3/c17-13(7-8-14(18)19)15-11-5-1-2-6-12(11)16-9-3-4-10-16/h1-10H,(H,15,17)(H,18,19)
InChIK	KKQLIFKJBGQWIH-UHFFFAOYSA-N
TotalMolweight	256.26
Molweight	256.26
MonoisotopicMass	256.084793
CLogP	0.9285
CLogS	-4.058
H Acceptors	5
H Donors	2
TotalSurfaceArea	202.03
Relative PSA	0.28466
PolarSurfaceArea	71.33
Druglikeness	1.8652
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57895
Fragments	1
Non HAtoms	19
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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