Molecule

ID:110701

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂N₂
Molecular Mass
136.19428
Exact Mass
136.10004839
Charge
0
InChI
InChI=1S/C8H12N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6,9-10H2
InChIKey
FDLQZKYLHJJBHD-UHFFFAOYSA-N
Canonic Smiles
NCc1cccc(c1)CN
Isomeric Smiles
NCc1cc(CN)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-5.738461
LogD (pH = 7.4)
-3.7976959
Log P
0.22478269
Molar Refractivity
43.0048
Polarizability
17.10464
Polar Surface Area
52.04
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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