Molecule

ID:1190

General Information
Structure
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Molecular Formula
C₁₁H₁₇N
Molecular Mass
163.25938
Exact Mass
163.13609955
Charge
0
InChI
InChI=1S/C11H17N/c1-11(2,12-3)9-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3
InChIKey
RXQCGGRTAILOIN-UHFFFAOYSA-N
Canonic Smiles
CNC(Cc1ccccc1)(C)C
Isomeric Smiles
N(C(Cc1ccccc1)(C)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.7128204
LogD (pH = 7.4)
-0.22165447
Log P
2.5174077
Molar Refractivity
53.118
Polarizability
21.058298
Polar Surface Area
12.03
Rotatable Bonds
3
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
2.54
LOG S
-2.55
Solubility (Water)
4.57e-01 g/l
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
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Molecule Details
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References
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Bioactivity
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