Molecule

ID:50155

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅N
Molecular Mass
161.2435
Exact Mass
161.12044949
Charge
0
InChI
InChI=1S/C11H15N/c1-2-4-10(5-3-1)8-11-6-7-12-9-11/h1-5,11-12H,6-9H2
InChIKey
HFBLCYZEOGXHDP-UHFFFAOYSA-N
Canonic Smiles
C1NCC(C1)Cc1ccccc1
Isomeric Smiles
N1CC(Cc2ccccc2)CC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.0840997
LogD (pH = 7.4)
-0.9705934
Log P
2.1562645
Molar Refractivity
51.402
Polarizability
20.313072
Polar Surface Area
12.03
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
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References
Bioactivity
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