N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-4-nitrobenzohydrazide
Molecular Formula : C11H10N6O4S2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-4-nitrobenzohydrazide is a drug-like molecule.
MolName : N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-4-nitrobenzohydrazide |
MolecularFormula : C11H10N6O4S2 |
Smiles : Nc1nnc(SCC(NNC(c(cc2)ccc2[N+]([O-])=O)=O)=O)s1 |
InChI : InChI=1S/C11H10N6O4S2/c12-10-15-16-11(23-10)22-5-8(18)13-14-9(19)6-1-3-7(4-2-6)17(20)21/h1-4H,5H2,(H2,12,15)(H,13,18)(H,14,19) |
InChIK : NUUKTLHMEVQTTQ-UHFFFAOYSA-N |
TotalMolweight : 354.37 |
Molweight : 354.37 |
MonoisotopicMass : 354.020494 |
CLogP : -0.4308 |
CLogS : -4.167 |
H Acceptors : 10 |
H Donors : 3 |
TotalSurfaceArea : 248.34 |
Relative PSA : 0.62205 |
PolarSurfaceArea : 209.36 |
Druglikeness : -1.908 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro |
Shape Index : 0.69565 |
Fragments : 1 |
Non HAtoms : 23 |
NonCHAtoms : 12 |
Electronegative Atoms : 12 |
Rotatable Bond : 6 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 11 |
Sp3Atoms : 3 |
Symmetricatoms : 2 |
Aromatic Nitrogens : 2 |
AcidicOxygens : 1 |
StereoCon : |