Molecule

ID:136609

General Information
Structure
Molecular Formula
C₈H₁₁N
Molecular Mass
122.1730489
Exact Mass
122.08618425
Charge
0
InChI
InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2/i9+1
InChIKey
BHHGXPLMPWCGHP-QBZHADDCSA-N
Canonic Smiles
[15NH2]CCc1ccccc1
Isomeric Smiles
c1ccc(cc1)CC[15NH2]
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.6221586
LogD (pH = 7.4)
-0.9164991
Log P
1.3876754
Molar Refractivity
39.2864
Polarizability
15.517892
Polar Surface Area
26.02
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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