MolName : 2,3-bis(3-nitrophenyl)pyrido[3,4-b]pyrazine |
MolecularFormula : C19H11N5O4 |
Smiles : [O-][N+](c1cccc(-c2nc3ccncc3nc2-c2cccc([N+]([O-])=O)c2)c1)=O |
InChI : InChI=1S/C19H11N5O4/c25-23(26)14-5-1-3-12(9-14)18-19(13-4-2-6-15(10-13)24(27)28)22-17-11-20-8-7-16(17)21-18/h1-11H |
InChIK : MWSROCXTIBDHGR-UHFFFAOYSA-N |
TotalMolweight : 373.327 |
Molweight : 373.327 |
MonoisotopicMass : 373.081105 |
CLogP : 1.7535 |
CLogS : -5.103 |
H Acceptors : 9 |
TotalSurfaceArea : 271 |
Relative PSA : 0.34594 |
PolarSurfaceArea : 130.31 |
Druglikeness : -7.141 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro |
Shape Index : 0.42857 |
Fragments : 1 |
Non HAtoms : 28 |
NonCHAtoms : 9 |
Electronegative Atoms : 9 |
Rotatable Bond : 4 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 4 |
Aromatic Atoms : 22 |
Sp3Atoms : 2 |
Aromatic Nitrogens : 3 |
AcidicOxygens : 2 |
StereoCon : |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |