Molecule

ID:79715

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂
Molecular Mass
122.1677
Exact Mass
122.08439833
Charge
0
InChI
InChI=1S/C7H10N2/c1-2-6-3-4-9-7(8)5-6/h3-5H,2H2,1H3,(H2,8,9)
InChIKey
SJWHILBZPGQBJE-UHFFFAOYSA-N
Canonic Smiles
CCc1ccnc(c1)N
Isomeric Smiles
n1c(cc(cc1)CC)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.0962753
LogD (pH = 7.4)
1.1305081
Log P
1.479095
Molar Refractivity
38.5572
Polarizability
14.176307
Polar Surface Area
38.91
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation