4-[(E)-3-(1-oxidopyridin-1-ium-4-yl)-3-oxoprop-1-enyl]benzonitrile

Formula:C15H10N2O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(E)-3-(1-oxidopyridin-1-ium-4-yl)-3-oxoprop-1-enyl]benzonitrile is a drug-like molecule.

MolName	4-[(E)-3-(1-oxidopyridin-1-ium-4-yl)-3-oxoprop-1-enyl]benzonitrile
MolecularFormula	C15H10N2O2
Smiles	N#Cc1ccc(/C=C/C(c(cc2)cc[n+]2[O-])=O)cc1
InChI	InChI=1S/C15H10N2O2/c16-11-13-3-1-12(2-4-13)5-6-15(18)14-7-9-17(19)10-8-14/h1-10H
InChIK	ZDDLZNHCKJCNRE-UHFFFAOYSA-N
TotalMolweight	250.256
Molweight	250.256
MonoisotopicMass	250.074228
CLogP	1.663
CLogS	-6.202
H Acceptors	4
TotalSurfaceArea	201.03
Relative PSA	0.20325
PolarSurfaceArea	66.32
Druglikeness	-5.3849
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.73684
Fragments	1
Non HAtoms	19
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	4
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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