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C14H12N4O4S | Cheminformatics
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N-[(E)-3-hydrazinyl-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide

Molecular Formula : C14H12N4O4S | Mutagenic : none | Tumorigenic : high | Reproductive Effective : none |
N-[(E)-3-hydrazinyl-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide is a drug-like molecule.

MolName : N-[(E)-3-hydrazinyl-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide

MolecularFormula : C14H12N4O4S

Smiles : NNC(/C(/NC(c1cccs1)=O)=C\c1cc([N+]([O-])=O)ccc1)=O

InChI : InChI=1S/C14H12N4O4S/c15-17-13(19)11(16-14(20)12-5-2-6-23-12)8-9-3-1-4-10(7-9)18(21)22/h1-8H,15H2,(H,16,20)(H,17,19)

InChIK : BSLILQRRYBPWOQ-UHFFFAOYSA-N

TotalMolweight : 332.339

Molweight : 332.339

MonoisotopicMass : 332.057926

CLogP : 0.5445

CLogS : -4.197

H Acceptors : 8

H Donors : 3

TotalSurfaceArea : 244.28

Relative PSA : 0.47098

PolarSurfaceArea : 158.28

Druglikeness : -6.1447

Mutagenic : none

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro; hydrazine

Shape Index : 0.52174

Fragments : 1

Non HAtoms : 23

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 5

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 2

Amides : 1

AcidicOxygens : 1

StereoCon :

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