Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

MolName : 5-chloro-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]thiophene-2-carboxamide

MolecularFormula : C16H10N3O4ClS

Smiles : [O-][N+](c(cc1)ccc1-c1ccc(/C=N\NC(c(s2)ccc2Cl)=O)o1)=O

InChI : InChI=1S/C16H10ClN3O4S/c17-15-8-7-14(25-15)16(21)19-18-9-12-5-6-13(24-12)10-1-3-11(4-2-10)20(22)23/h1-9H,(H,19,21)

InChIK : RCTZPLPWGASQKK-UHFFFAOYSA-N

TotalMolweight : 375.791

Molweight : 375.791

MonoisotopicMass : 375.008054

CLogP : 3.8962

CLogS : -6.404

H Acceptors : 7

H Donors : 1

TotalSurfaceArea : 271.47

Relative PSA : 0.37168

PolarSurfaceArea : 128.66

Druglikeness : 2.4732

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde

Shape Index : 0.68

Fragments : 1

Non HAtoms : 25

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 3

Aromatic Atoms : 16

Sp3Atoms : 1

Symmetricatoms : 2

AcidicOxygens : 1

StereoCon :