diaminomethylidene-[4-(4-nitrophenoxy)carbonylphenyl]azanium
Molecular Formula : C14H13N4O4 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |diaminomethylidene-[4-(4-nitrophenoxy)carbonylphenyl]azanium is a drug-like molecule.
MolName : diaminomethylidene-[4-(4-nitrophenoxy)carbonylphenyl]azanium |
MolecularFormula : C14H13N4O4 |
Smiles : NC(N)=[NH+]c(cc1)ccc1C(Oc(cc1)ccc1[N+]([O-])=O)=O |
InChI : InChI=1S/C14H12N4O4/c15-14(16)17-10-3-1-9(2-4-10)13(19)22-12-7-5-11(6-8-12)18(20)21/h1-8H,(H4,15,16,17)/p+1 |
InChIK : CFOQGBUQTOGYKI-UHFFFAOYSA-O |
TotalMolweight : 301.281 |
Molweight : 301.281 |
MonoisotopicMass : 301.093681 |
CLogP : 0.7909 |
CLogS : -3.946 |
H Acceptors : 8 |
H Donors : 3 |
TotalSurfaceArea : 212.94 |
Relative PSA : 0.39448 |
PolarSurfaceArea : 138.13 |
Druglikeness : -6.4248 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro |
Shape Index : 0.68182 |
Fragments : 1 |
Non HAtoms : 22 |
NonCHAtoms : 8 |
Electronegative Atoms : 8 |
Rotatable Bond : 5 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 2 |
Symmetricatoms : 5 |
BasicNitrogens : 1 |
AcidicOxygens : 1 |
StereoCon : |