N'-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]-4-nitrobenzohydrazide
Molecular Formula : C16H12N7O4ClS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |N'-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]-4-nitrobenzohydrazide is not a drug-like molecule.
MolName : N'-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]-4-nitrobenzohydrazide |
MolecularFormula : C16H12N7O4ClS |
Smiles : [O-][N+](c(cc1)ccc1C(NNC(CSc1nnnn1-c(cc1)ccc1Cl)=O)=O)=O |
InChI : InChI=1S/C16H12ClN7O4S/c17-11-3-7-12(8-4-11)23-16(20-21-22-23)29-9-14(25)18-19-15(26)10-1-5-13(6-2-10)24(27)28/h1-8H,9H2,(H,18,25)(H,19,26) |
InChIK : FYTYCWMOOHDWHG-UHFFFAOYSA-N |
TotalMolweight : 433.835 |
Molweight : 433.835 |
MonoisotopicMass : 433.036 |
CLogP : 0.6555 |
CLogS : -5.116 |
H Acceptors : 11 |
H Donors : 2 |
TotalSurfaceArea : 307.02 |
Relative PSA : 0.44522 |
PolarSurfaceArea : 172.92 |
Druglikeness : -3.1439 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro |
Shape Index : 0.65517 |
Fragments : 1 |
Non HAtoms : 29 |
NonCHAtoms : 13 |
Electronegative Atoms : 13 |
Rotatable Bond : 7 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 3 |
Aromatic Atoms : 17 |
Sp3Atoms : 3 |
Symmetricatoms : 4 |
Aromatic Nitrogens : 4 |
AcidicOxygens : 1 |
StereoCon : |