(E)-benzylidene-(diaminomethylideneamino)azanium

Formula:C8H11N4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-benzylidene-(diaminomethylideneamino)azanium is a drug-like molecule.

MolName(E)-benzylidene-(diaminomethylideneamino)azanium
MolecularFormulaC8H11N4
SmilesNC(N)=N/[NH+]=C/c1ccccc1
InChIInChI=1S/C8H10N4/c9-8(10)12-11-6-7-4-2-1-3-5-7/h1-6H,(H4,9,10,12)/p+1
InChIKWNPXUCYRKHVMAD-UHFFFAOYSA-O
TotalMolweight163.203
Molweight163.203
MonoisotopicMass163.098371
CLogP1.2568
CLogS-2.99
H Acceptors4
H Donors3
TotalSurfaceArea126.52
Relative PSA0.33236
PolarSurfaceArea78.37
Druglikeness-1.7488
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.75
Fragments1
Non HAtoms12
NonCHAtoms4
Electronegative Atoms4
Rotatable Bond2
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Symmetricatoms3
BasicNitrogens1
StereoCon

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