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C10H9N7O2 | Cheminformatics

1-[(Z)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]tetrazol-5-amine

Molecular Formula : C10H9N7O2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

MolName : 1-[(Z)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]tetrazol-5-amine

MolecularFormula : C10H9N7O2

Smiles : Nc1nnnn1/N=C\C=C\c1cccc([N+]([O-])=O)c1

InChI : InChI=1S/C10H9N7O2/c11-10-13-14-15-16(10)12-6-2-4-8-3-1-5-9(7-8)17(18)19/h1-7H,(H2,11,13,15)

InChIK : VFZBLCSLDGVQJK-UHFFFAOYSA-N

TotalMolweight : 259.228

Molweight : 259.228

MonoisotopicMass : 259.081773

CLogP : 0.3232

CLogS : -4.539

H Acceptors : 9

H Donors : 1

TotalSurfaceArea : 201.95

Relative PSA : 0.48022

PolarSurfaceArea : 127.8

Druglikeness : -3.926

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro; imine/hydrazone of aldehyde

Shape Index : 0.63158

Fragments : 1

Non HAtoms : 19

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 4

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 1

Aromatic Nitrogens : 4

AcidicOxygens : 1

StereoCon :

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