4-[5-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]furan-2-yl]-2-chlorobenzoate

Formula:C21H12N2O4Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-[5-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]furan-2-yl]-2-chlorobenzoate is a drug-like molecule.

MolName	4-[5-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]furan-2-yl]-2-chlorobenzoate
MolecularFormula	C21H12N2O4Cl
Smiles	N#C/C(/C(Nc1ccccc1)=O)=C\c1ccc(-c(cc2)cc(Cl)c2C([O-])=O)o1
InChI	InChI=1S/C21H13ClN2O4/c22-18-11-13(6-8-17(18)21(26)27)19-9-7-16(28-19)10-14(12-23)20(25)24-15-4-2-1-3-5-15/h1-11H,(H,24,25)(H,26,27)/p-1
InChIK	NLYWAVIBQPRHNL-UHFFFAOYSA-M
TotalMolweight	391.789
Molweight	391.789
MonoisotopicMass	391.04856
CLogP	1.9423
CLogS	-5.979
H Acceptors	6
H Donors	1
TotalSurfaceArea	298.8
Relative PSA	0.26603
PolarSurfaceArea	106.16
Druglikeness	-0.56833
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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