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C18H15N5O2 4,6-bis(aziridin-1-yl)-2-naphthalen-1-yl-5-nitropyrimidine | Chemryt

4,6-bis(aziridin-1-yl)-2-naphthalen-1-yl-5-nitropyrimidine

Molecular Formula : C18H15N5O2 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : |

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

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