2-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-1-nitroguanidine
Molecular Formula : C12H10N5O3Cl | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |2-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-1-nitroguanidine is a drug-like molecule.
MolName : 2-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-1-nitroguanidine |
MolecularFormula : C12H10N5O3Cl |
Smiles : N/C(/N[N+]([O-])=O)=N\N=C/c1ccc(-c(cc2)ccc2Cl)o1 |
InChI : InChI=1S/C12H10ClN5O3/c13-9-3-1-8(2-4-9)11-6-5-10(21-11)7-15-16-12(14)17-18(19)20/h1-7H,(H3,14,16,17) |
InChIK : KICGLTLYWSESMB-UHFFFAOYSA-N |
TotalMolweight : 307.696 |
Molweight : 307.696 |
MonoisotopicMass : 307.047217 |
CLogP : 2.1836 |
CLogS : -5.995 |
H Acceptors : 8 |
H Donors : 2 |
TotalSurfaceArea : 229.51 |
Relative PSA : 0.41079 |
PolarSurfaceArea : 121.73 |
Druglikeness : 1.5911 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : dimethylene-hydrazine; imine/hydrazone of aldehyde; N-nitro |
Shape Index : 0.71429 |
Fragments : 1 |
Non HAtoms : 21 |
NonCHAtoms : 9 |
Electronegative Atoms : 9 |
Rotatable Bond : 3 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 11 |
Sp3Atoms : 1 |
Symmetricatoms : 2 |
BasicNitrogens : 1 |
AcidicOxygens : 1 |
StereoCon : |