Molecule

ID:77451

General Information
Structure
Molecular Formula
C₉H₁₂N₂
Molecular Mass
148.20498
Exact Mass
148.10004839
Charge
0
InChI
InChI=1S/C9H12N2/c1-11-5-4-7-6-8(10)2-3-9(7)11/h2-3,6H,4-5,10H2,1H3
InChIKey
JYSFDZGGGCGZGO-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)CCN2C
Isomeric Smiles
N1(c2c(cc(cc2)N)CC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.42031905
LogD (pH = 7.4)
1.2576476
Log P
1.2922522
Molar Refractivity
48.4966
Polarizability
17.33105
Polar Surface Area
29.26
Rotatable Bonds
0
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
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References
Bioactivity
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