(2E)-2-(nitromethylidene)-1-(3-phenylpropyl)-1,3-diazinane

Formula:C14H19N3O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E)-2-(nitromethylidene)-1-(3-phenylpropyl)-1,3-diazinane is a drug-like molecule.

MolName	(2E)-2-(nitromethylidene)-1-(3-phenylpropyl)-1,3-diazinane
MolecularFormula	C14H19N3O2
Smiles	[O-][N+](/C=C1/N(CCCc2ccccc2)CCCN1)=O
InChI	InChI=1S/C14H19N3O2/c18-17(19)12-14-15-9-5-11-16(14)10-4-8-13-6-2-1-3-7-13/h1-3,6-7,12,15H,4-5,8-11H2
InChIK	KXMLBHLWLFZDFP-UHFFFAOYSA-N
TotalMolweight	261.324
Molweight	261.324
MonoisotopicMass	261.147727
CLogP	1.5775
CLogS	-3.807
H Acceptors	5
H Donors	1
TotalSurfaceArea	212.46
Relative PSA	0.21383
PolarSurfaceArea	61.09
Druglikeness	-2.9506
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63158
Fragments	1
Non HAtoms	19
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	7
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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