MolName : N'-[4-(morpholine-4-carbonyl)phenyl]-3,5-dinitrobenzohydrazide |
MolecularFormula : C18H17N5O7 |
Smiles : [O-][N+](c1cc(C(NNc(cc2)ccc2C(N2CCOCC2)=O)=O)cc([N+]([O-])=O)c1)=O |
InChI : InChI=1S/C18H17N5O7/c24-17(13-9-15(22(26)27)11-16(10-13)23(28)29)20-19-14-3-1-12(2-4-14)18(25)21-5-7-30-8-6-21/h1-4,9-11,19H,5-8H2,(H,20,24) |
InChIK : BWOOWWUOZLDFNY-UHFFFAOYSA-N |
TotalMolweight : 415.361 |
Molweight : 415.361 |
MonoisotopicMass : 415.1128 |
CLogP : 1.088 |
CLogS : -3.368 |
H Acceptors : 12 |
H Donors : 2 |
TotalSurfaceArea : 300.62 |
Relative PSA : 0.41045 |
PolarSurfaceArea : 162.31 |
Druglikeness : -1.1814 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro |
Shape Index : 0.56667 |
Fragments : 1 |
Non HAtoms : 30 |
NonCHAtoms : 12 |
Electronegative Atoms : 12 |
Rotatable Bond : 6 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 7 |
Symmetricatoms : 9 |
Amides : 1 |
AcidicOxygens : 2 |
StereoCon : |