Molecule

ID:110866

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N
Molecular Mass
145.20104
Exact Mass
145.08914936
Charge
0
InChI
InChI=1S/C10H11N/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8H2
InChIKey
ICMVGKQFVMTRLB-UHFFFAOYSA-N
Canonic Smiles
N#CCCCc1ccccc1
Isomeric Smiles
N#CCCCc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5580802
LogD (pH = 7.4)
2.5580802
Log P
2.5580802
Molar Refractivity
45.5469
Polarizability
17.563587
Polar Surface Area
23.79
Rotatable Bonds
3
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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