(Z)-2-(1H-benzimidazol-2-yl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enenitrile

Formula:C19H18N4O Mutagenic:high Tumorigenic:high Reproductive Effective:none (Z)-2-(1H-benzimidazol-2-yl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(Z)-2-(1H-benzimidazol-2-yl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enenitrile
MolecularFormula	C19H18N4O
Smiles	N#C/C(/c1nc(cccc2)c2[nH]1)=C/c1ccc(N2CCCCC2)o1
InChI	InChI=1S/C19H18N4O/c20-13-14(19-21-16-6-2-3-7-17(16)22-19)12-15-8-9-18(24-15)23-10-4-1-5-11-23/h2-3,6-9,12H,1,4-5,10-11H2,(H,21,22)
InChIK	AAFQLUSMGWDCNR-UHFFFAOYSA-N
TotalMolweight	318.379
Molweight	318.379
MonoisotopicMass	318.148061
CLogP	3.1948
CLogS	-4.323
H Acceptors	5
H Donors	1
TotalSurfaceArea	257.66
Relative PSA	0.21804
PolarSurfaceArea	68.85
Druglikeness	-1.9953
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	14
Sp3Atoms	5
Symmetricatoms	2
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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