5-[[3-[(Z)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]indol-1-yl]methyl]furan-2-carboxylic acid

Formula:C24H16N4O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-[[3-[(Z)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]indol-1-yl]methyl]furan-2-carboxylic acid is a drug-like molecule.

MolName	5-[[3-[(Z)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]indol-1-yl]methyl]furan-2-carboxylic acid
MolecularFormula	C24H16N4O3
Smiles	N#C/C(/c1nc(cccc2)c2[nH]1)=C/c1cn(Cc2ccc(C(O)=O)o2)c2c1cccc2
InChI	InChI=1S/C24H16N4O3/c25-12-15(23-26-19-6-2-3-7-20(19)27-23)11-16-13-28(21-8-4-1-5-18(16)21)14-17-9-10-22(31-17)24(29)30/h1-11,13H,14H2,(H,26,27)(H,29,30)
InChIK	WHWDMGQNVBZWFL-UHFFFAOYSA-N
TotalMolweight	408.416
Molweight	408.416
MonoisotopicMass	408.122241
CLogP	2.9088
CLogS	-3.821
H Acceptors	7
H Donors	2
TotalSurfaceArea	313.48
Relative PSA	0.27319
PolarSurfaceArea	107.84
Druglikeness	-1.3232
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	23
Sp3Atoms	2
Aromatic Nitrogens	3
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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