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C8H9N5O2 2,4-bis(aziridin-1-yl)-5-nitropyrimidine | Chemryt

2,4-bis(aziridin-1-yl)-5-nitropyrimidine

Molecular Formula : C8H9N5O2 | Mutagenic : high | Tumorigenic : low | Reproductive Effective : |

MolName : 2,4-bis(aziridin-1-yl)-5-nitropyrimidine

MolecularFormula : C8H9N5O2

Smiles : [O-][N+](c1c(N2CC2)nc(N2CC2)nc1)=O

InChI : InChI=1S/C8H9N5O2/c14-13(15)6-5-9-8(12-3-4-12)10-7(6)11-1-2-11/h5H,1-4H2

InChIK : VGTUYAVMMFMGFU-UHFFFAOYSA-N

TotalMolweight : 207.192

Molweight : 207.192

MonoisotopicMass : 207.075625

CLogP : -0.4903

CLogS : -2.232

H Acceptors : 7

TotalSurfaceArea : 139.09

Relative PSA : 0.39873

PolarSurfaceArea : 77.62

Druglikeness : -3.3859

Mutagenic : high

Tumorigenic : low

Reproductive Effective : high

Irritant : high

Nasty Functions : aromatic nitro; oxiran/aziridine

Shape Index : 0.53333

Fragments : 1

Non HAtoms : 15

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 3

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 6

Symmetricatoms : 2

Aromatic Nitrogens : 2

AcidicOxygens : 1

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