Molecule

ID:21856

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)8-12-9-11-6-7-11/h1-5,11-12H,6-9H2
InChIKey
QONMRPMQMVTSLW-UHFFFAOYSA-N
Canonic Smiles
N(Cc1ccccc1)CC1CC1
Isomeric Smiles
C1CC1CNCc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.90429115
LogD (pH = 7.4)
-0.16628183
Log P
2.312172
Molar Refractivity
51.248
Polarizability
20.391155
Polar Surface Area
12.03
Rotatable Bonds
4
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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