Molecule

ID:26797

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇N
Molecular Mass
163.25938
Exact Mass
163.13609955
Charge
0
InChI
InChI=1S/C11H17N/c1-4-11(12)10-6-5-8(2)9(3)7-10/h5-7,11H,4,12H2,1-3H3
InChIKey
WCTLOIPMQALXLC-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc(c(c1)C)C)N
Isomeric Smiles
c1c(ccc(c1C)C)C(N)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.052441515
LogD (pH = 7.4)
0.71719986
Log P
3.0649545
Molar Refractivity
53.5566
Polarizability
20.972578
Polar Surface Area
26.02
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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