Molecule

ID:76105

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂N₂
Molecular Mass
148.20498
Exact Mass
148.10004839
Charge
0
InChI
InChI=1S/C9H12N2/c1-2-5-11-9(3-1)8-4-6-10-7-8/h1-3,5,8,10H,4,6-7H2
InChIKey
STXABSODTGKUAK-UHFFFAOYSA-N
Canonic Smiles
C1NCC(C1)c1ccccn1
Isomeric Smiles
n1c(cccc1)C1CNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.5408986
LogD (pH = 7.4)
-2.2377913
Log P
0.70186025
Molar Refractivity
44.1692
Polarizability
17.527224
Polar Surface Area
24.92
Rotatable Bonds
1
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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