(E)-3-(2-morpholin-4-ylquinolin-1-ium-3-yl)-2-(4-nitrophenyl)prop-2-enenitrile

Formula:C22H19N4O3 Mutagenic:none Tumorigenic:low Reproductive Effective:low (E)-3-(2-morpholin-4-ylquinolin-1-ium-3-yl)-2-(4-nitrophenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-(2-morpholin-4-ylquinolin-1-ium-3-yl)-2-(4-nitrophenyl)prop-2-enenitrile
MolecularFormula	C22H19N4O3
Smiles	N#C/C(/c(cc1)ccc1[N+]([O-])=O)=C/c1cc2ccccc2[nH+]c1N1CCOCC1
InChI	InChI=1S/C22H18N4O3/c23-15-19(16-5-7-20(8-6-16)26(27)28)14-18-13-17-3-1-2-4-21(17)24-22(18)25-9-11-29-12-10-25/h1-8,13-14H,9-12H2/p+1
InChIK	AORGWCCFUWYJCO-UHFFFAOYSA-O
TotalMolweight	387.418
Molweight	387.418
MonoisotopicMass	387.145716
CLogP	2.3881
CLogS	-5.423
H Acceptors	7
H Donors	1
TotalSurfaceArea	287.34
Relative PSA	0.20022
PolarSurfaceArea	96.22
Druglikeness	-7.8863
Mutagenic	none
Tumorigenic	low
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48276
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	6
Symmetricatoms	4
Aromatic Nitrogens	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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