Molecule

ID:114023

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂N₂
Molecular Mass
148.20498
Exact Mass
148.10004839
Charge
0
InChI
InChI=1S/C9H12N2/c1-7-5-8-3-2-4-10-9(8)11-6-7/h5-6H,2-4H2,1H3,(H,10,11)
InChIKey
VZADIUQKUVWTSR-UHFFFAOYSA-N
Canonic Smiles
Cc1cc2CCCNc2nc1
Isomeric Smiles
c12ncc(cc1CCCN2)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.45662707
LogD (pH = 7.4)
1.5130823
Log P
1.8206877
Molar Refractivity
47.3602
Polarizability
17.052984
Polar Surface Area
24.92
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
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Molecule Details
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References
Bioactivity
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