2-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-4-chlorobenzoic acid

Formula:C21H12N3O3Cl Mutagenic:high Tumorigenic:high Reproductive Effective:high 2-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-4-chlorobenzoic acid is a drug-like molecule.

MolName	2-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-4-chlorobenzoic acid
MolecularFormula	C21H12N3O3Cl
Smiles	N#C/C(/c1nc(cccc2)c2[nH]1)=C\c1ccc(-c(cc(cc2)Cl)c2C(O)=O)o1
InChI	InChI=1S/C21H12ClN3O3/c22-13-5-7-15(21(26)27)16(10-13)19-8-6-14(28-19)9-12(11-23)20-24-17-3-1-2-4-18(17)25-20/h1-10H,(H,24,25)(H,26,27)
InChIK	MSJLKHFYVSOROP-UHFFFAOYSA-N
TotalMolweight	389.797
Molweight	389.797
MonoisotopicMass	389.056719
CLogP	3.6813
CLogS	-5.333
H Acceptors	6
H Donors	2
TotalSurfaceArea	291.34
Relative PSA	0.27037
PolarSurfaceArea	102.91
Druglikeness	-2.3599
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	1
Aromatic Nitrogens	2
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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