(E)-4-[2-(4-cyanophenoxy)anilino]-4-oxobut-2-enoic acid

Formula:C17H12N2O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-[2-(4-cyanophenoxy)anilino]-4-oxobut-2-enoic acid is a drug-like molecule.

MolName	(E)-4-[2-(4-cyanophenoxy)anilino]-4-oxobut-2-enoic acid
MolecularFormula	C17H12N2O4
Smiles	N#Cc(cc1)ccc1Oc(cccc1)c1NC(/C=C/C(O)=O)=O
InChI	InChI=1S/C17H12N2O4/c18-11-12-5-7-13(8-6-12)23-15-4-2-1-3-14(15)19-16(20)9-10-17(21)22/h1-10H,(H,19,20)(H,21,22)
InChIK	XDCVWTKSORGPAD-UHFFFAOYSA-N
TotalMolweight	308.292
Molweight	308.292
MonoisotopicMass	308.079708
CLogP	1.9748
CLogS	-4.815
H Acceptors	6
H Donors	2
TotalSurfaceArea	244.54
Relative PSA	0.30343
PolarSurfaceArea	99.42
Druglikeness	-3.1591
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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