10-[(E)-2-nitroethenyl]-1,2,3,4-tetrahydropyrimido[1,2-a]indole

Formula:C13H13N3O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 10-[(E)-2-nitroethenyl]-1,2,3,4-tetrahydropyrimido[1,2-a]indole is a drug-like molecule.

MolName	10-[(E)-2-nitroethenyl]-1,2,3,4-tetrahydropyrimido[1,2-a]indole
MolecularFormula	C13H13N3O2
Smiles	[O-][N+](/C=C/c1c(NCCC2)n2c2c1cccc2)=O
InChI	InChI=1S/C13H13N3O2/c17-16(18)9-6-11-10-4-1-2-5-12(10)15-8-3-7-14-13(11)15/h1-2,4-6,9,14H,3,7-8H2
InChIK	BRXJPIVKAXFHCY-UHFFFAOYSA-N
TotalMolweight	243.265
Molweight	243.265
MonoisotopicMass	243.100777
CLogP	1.7093
CLogS	-3.52
H Acceptors	5
H Donors	1
TotalSurfaceArea	186.47
Relative PSA	0.26144
PolarSurfaceArea	62.78
Druglikeness	-2.123
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	18
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	9
Sp3Atoms	5
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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