Molecule

ID:109013

General Information
Structure
MolImage
Molecular Formula
C₁₄H₃₁N
Molecular Mass
213.40264
Exact Mass
213.24565
Charge
0
InChI
InChI=1S/C14H31N/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h4-14H2,1-3H3
InChIKey
YWFWDNVOPHGWMX-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCN(C)C
Isomeric Smiles
CCCCCCCCCCCCN(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.6346284
LogD (pH = 7.4)
2.7109401
Log P
5.0706177
Molar Refractivity
70.6697
Polarizability
28.1184
Polar Surface Area
3.24
Rotatable Bonds
11
Lipinski's Rule of Five
false
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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