Molecule
ID:125432
General Information
Molecular Formula
C₁₁H₁₇N
Molecular Mass
163.25938
Exact Mass
163.13609955
Charge
0
InChI
InChI=1S/C11H17N/c1-3-10-4-6-11(7-5-10)8-9(2)12/h4-7,9H,3,8,12H2,1-2H3
InChIKey
VHFLVGIMDGXALR-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)CC(N)C
Isomeric Smiles
NC(C)Cc1ccc(cc1)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.25736883
LogD (pH = 7.4)
0.2736454
Log P
2.7622406
Molar Refractivity
53.3474
Polarizability
20.974993
Polar Surface Area
26.02
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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