4,6-bis(aziridin-1-yl)-2-naphthalen-1-yl-5-nitropyrimidine
Molecular Formula : C18H15N5O2 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : high |4,6-bis(aziridin-1-yl)-2-naphthalen-1-yl-5-nitropyrimidine is a drug-like molecule.
MolName : 4,6-bis(aziridin-1-yl)-2-naphthalen-1-yl-5-nitropyrimidine |
MolecularFormula : C18H15N5O2 |
Smiles : [O-][N+](c1c(N2CC2)nc(-c2cccc3ccccc23)nc1N1CC1)=O |
InChI : InChI=1S/C18H15N5O2/c24-23(25)15-17(21-8-9-21)19-16(20-18(15)22-10-11-22)14-7-3-5-12-4-1-2-6-13(12)14/h1-7H,8-11H2 |
InChIK : XZLACTINIXLYNN-UHFFFAOYSA-N |
TotalMolweight : 333.35 |
Molweight : 333.35 |
MonoisotopicMass : 333.122575 |
CLogP : 2.329 |
CLogS : -6.237 |
H Acceptors : 7 |
TotalSurfaceArea : 233.45 |
Relative PSA : 0.23757 |
PolarSurfaceArea : 77.62 |
Druglikeness : -3.3859 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : high |
Irritant : high |
Nasty Functions : aromatic nitro; oxiran/aziridine |
Shape Index : 0.44 |
Fragments : 1 |
Non HAtoms : 25 |
NonCHAtoms : 7 |
Electronegative Atoms : 7 |
Rotatable Bond : 4 |
Rings Closures : 5 |
Small Rings : 5 |
Aromatic Rings : 3 |
Aromatic Atoms : 16 |
Sp3Atoms : 6 |
Symmetricatoms : 6 |
Aromatic Nitrogens : 2 |
AcidicOxygens : 1 |
StereoCon : |