Molecule

ID:10976

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N
Molecular Mass
145.20104
Exact Mass
145.08914936
Charge
0
InChI
InChI=1S/C10H11N/c1-2-8-11-9-10-6-4-3-5-7-10/h1,3-7,11H,8-9H2
InChIKey
LDYBFSGEBHSTOQ-UHFFFAOYSA-N
Canonic Smiles
C#CCNCc1ccccc1
Isomeric Smiles
C(#C)CNCc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.0789869
LogD (pH = 7.4)
0.57762724
Log P
1.7596776
Molar Refractivity
46.8862
Polarizability
18.179747
Polar Surface Area
12.03
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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