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