Molecule

ID:71069

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N
Molecular Mass
149.2328
Exact Mass
149.12044949
Charge
0
InChI
InChI=1S/C10H15N/c1-8(2)11-10-6-4-9(3)5-7-10/h4-8,11H,1-3H3
InChIKey
OMQZTBCIXIXKBF-UHFFFAOYSA-N
Canonic Smiles
CC(Nc1ccc(cc1)C)C
Isomeric Smiles
N(c1ccc(cc1)C)C(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.4262378
LogD (pH = 7.4)
2.72724
Log P
2.7328284
Molar Refractivity
50.4604
Polarizability
18.802362
Polar Surface Area
12.03
Rotatable Bonds
2
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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