5-[5-[(Z)-2-(4-carboxyphenyl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoic acid

Formula:C21H12NO5Cl Mutagenic:high Tumorigenic:high Reproductive Effective:low 5-[5-[(Z)-2-(4-carboxyphenyl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoic acid is a drug-like molecule.

MolName	5-[5-[(Z)-2-(4-carboxyphenyl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoic acid
MolecularFormula	C21H12NO5Cl
Smiles	N#C/C(/c(cc1)ccc1C(O)=O)=C\c1ccc(-c(cc2)cc(C(O)=O)c2Cl)o1
InChI	InChI=1S/C21H12ClNO5/c22-18-7-5-14(10-17(18)21(26)27)19-8-6-16(28-19)9-15(11-23)12-1-3-13(4-2-12)20(24)25/h1-10H,(H,24,25)(H,26,27)
InChIK	ZUFIQCPWFFQAFX-UHFFFAOYSA-N
TotalMolweight	393.781
Molweight	393.781
MonoisotopicMass	393.040401
CLogP	3.8477
CLogS	-5.851
H Acceptors	6
H Donors	2
TotalSurfaceArea	292.51
Relative PSA	0.27332
PolarSurfaceArea	111.53
Druglikeness	-3.3468
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.57143
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	2
Symmetricatoms	2
AcidicOxygens	2
StereoCon

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