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C10H8N4O3 | Cheminformatics
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(E)-2-cyano-3-(3-nitrophenyl)prop-2-enehydrazide

Molecular Formula : C10H8N4O3 | Mutagenic : none | Tumorigenic : high | Reproductive Effective : none |
(E)-2-cyano-3-(3-nitrophenyl)prop-2-enehydrazide is a drug-like molecule.

MolName : (E)-2-cyano-3-(3-nitrophenyl)prop-2-enehydrazide

MolecularFormula : C10H8N4O3

Smiles : NNC(/C(/C#N)=C/c1cccc([N+]([O-])=O)c1)=O

InChI : InChI=1S/C10H8N4O3/c11-6-8(10(15)13-12)4-7-2-1-3-9(5-7)14(16)17/h1-5H,12H2,(H,13,15)

InChIK : FXUGYGNPELFJOM-UHFFFAOYSA-N

TotalMolweight : 232.199

Molweight : 232.199

MonoisotopicMass : 232.059641

CLogP : -0.7576

CLogS : -3.084

H Acceptors : 7

H Donors : 2

TotalSurfaceArea : 181.08

Relative PSA : 0.4625

PolarSurfaceArea : 124.73

Druglikeness : -13.633

Mutagenic : none

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : twice activated DB; aromatic nitro; hydrazine

Shape Index : 0.58824

Fragments : 1

Non HAtoms : 17

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 3

Rings Closures : 1

Small Rings : 1

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 2

AcidicOxygens : 1

StereoCon :

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