Molecule

ID:101152

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₅N
Molecular Mass
231.3764
Exact Mass
231.19869981
Charge
0
InChI
InChI=1S/C16H25N/c1-15(2)8-9-16(3,4)14-10-12(11-17-5)6-7-13(14)15/h6-7,10,17H,8-9,11H2,1-5H3
InChIKey
QBMLVHULRZTDKY-UHFFFAOYSA-N
Canonic Smiles
CNCc1ccc2c(c1)C(C)(C)CCC2(C)C
Isomeric Smiles
c12c(C(CCC1(C)C)(C)C)ccc(c2)CNC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.9596003
LogD (pH = 7.4)
1.8870959
Log P
4.1579814
Molar Refractivity
74.8356
Polarizability
29.457186
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
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Molecule Details
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References
Bioactivity
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