Molecule

ID:103164

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₁N
Molecular Mass
285.46684
Exact Mass
285.24565
Charge
0
InChI
InChI=1S/C20H31N/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18H,5,7,9-11,13,21H2,1-4H3
InChIKey
JVVXZOOGOGPDRZ-UHFFFAOYSA-N
Canonic Smiles
NCC1(C)CCCC2(C1CCc1c2ccc(c1)C(C)C)C
Isomeric Smiles
CC(C)c1ccc2c(CCC3C(C)(CN)CCCC23C)c1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.154397
LogD (pH = 7.4)
2.7766933
Log P
5.1694193
Molar Refractivity
91.159
Polarizability
36.02397
Polar Surface Area
26.02
Rotatable Bonds
2
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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