Molecule

ID:73490

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉N
Molecular Mass
177.28596
Exact Mass
177.15174961
Charge
0
InChI
InChI=1S/C12H19N/c1-12(2,3)10-6-8-11(9-7-10)13(4)5/h6-9H,1-5H3
InChIKey
SJDILFZCXQHCRB-UHFFFAOYSA-N
Canonic Smiles
CN(c1ccc(cc1)C(C)(C)C)C
Isomeric Smiles
N(c1ccc(cc1)C(C)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4269629
LogD (pH = 7.4)
3.6231704
Log P
3.6263459
Molar Refractivity
59.1525
Polarizability
22.493345
Polar Surface Area
3.24
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
No Data Available
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Molecule Details
References
Bioactivity
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