2-chloro-5-[5-[(Z)-2-cyano-3-(cyclopentylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid

Formula:C20H17N2O4Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-chloro-5-[5-[(Z)-2-cyano-3-(cyclopentylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid is a drug-like molecule.

MolName	2-chloro-5-[5-[(Z)-2-cyano-3-(cyclopentylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
MolecularFormula	C20H17N2O4Cl
Smiles	N#C/C(/C(NC1CCCC1)=O)=C/c1ccc(-c(cc2)cc(C(O)=O)c2Cl)o1
InChI	InChI=1S/C20H17ClN2O4/c21-17-7-5-12(10-16(17)20(25)26)18-8-6-15(27-18)9-13(11-22)19(24)23-14-3-1-2-4-14/h5-10,14H,1-4H2,(H,23,24)(H,25,26)
InChIK	VSBAZUIBKXUSFX-UHFFFAOYSA-N
TotalMolweight	384.818
Molweight	384.818
MonoisotopicMass	384.087685
CLogP	3.5233
CLogS	-5.776
H Acceptors	6
H Donors	2
TotalSurfaceArea	291.9
Relative PSA	0.26828
PolarSurfaceArea	103.33
Druglikeness	-2.576
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	6
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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