Molecule

ID:16629

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃N
Molecular Mass
147.21692
Exact Mass
147.10479942
Charge
0
InChI
InChI=1S/C10H13N/c1-2-4-9(5-3-1)10-6-7-11-8-10/h1-5,10-11H,6-8H2
InChIKey
PRRFFTYUBPGHLE-UHFFFAOYSA-N
Canonic Smiles
C1NCC(C1)c1ccccc1
Isomeric Smiles
C1(c2ccccc2)CCNC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.5278814
LogD (pH = 7.4)
-1.369493
Log P
1.7116958
Molar Refractivity
46.801
Polarizability
18.46428
Polar Surface Area
12.03
Rotatable Bonds
1
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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