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C19H11N5O4 | Cheminformatics

2,3-bis(3-nitrophenyl)pyrido[3,4-b]pyrazine

Molecular Formula : C19H11N5O4 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

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 :

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