(Z)-3-(2-morpholin-4-yl-5-nitrophenyl)-2-(3-nitrophenyl)prop-2-enenitrile

Formula:C19H16N4O5 Mutagenic:none Tumorigenic:none Reproductive Effective:high (Z)-3-(2-morpholin-4-yl-5-nitrophenyl)-2-(3-nitrophenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(Z)-3-(2-morpholin-4-yl-5-nitrophenyl)-2-(3-nitrophenyl)prop-2-enenitrile
MolecularFormula	C19H16N4O5
Smiles	N#C/C(/c1cc([N+]([O-])=O)ccc1)=C\c(cc(cc1)[N+]([O-])=O)c1N1CCOCC1
InChI	InChI=1S/C19H16N4O5/c20-13-16(14-2-1-3-17(11-14)22(24)25)10-15-12-18(23(26)27)4-5-19(15)21-6-8-28-9-7-21/h1-5,10-12H,6-9H2
InChIK	VNBBDORVBSBPEN-UHFFFAOYSA-N
TotalMolweight	380.359
Molweight	380.359
MonoisotopicMass	380.112071
CLogP	1.1584
CLogS	-4.652
H Acceptors	9
TotalSurfaceArea	288.62
Relative PSA	0.30473
PolarSurfaceArea	127.9
Druglikeness	-7.8863
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.46429
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	2
Amines	1
Aromatic Amines	1
AcidicOxygens	2
StereoCon

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