Molecule

ID:60734

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₅N
Molecular Mass
279.4192
Exact Mass
279.19869981
Charge
0
InChI
InChI=1S/C20H25N/c1-5-15-11-12-18-17(13-15)20(4,14-19(2,3)21-18)16-9-7-6-8-10-16/h6-13,21H,5,14H2,1-4H3
InChIKey
ASQMKMDDYIPRCG-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc2c(c1)C(C)(CC(N2)(C)C)c1ccccc1
Isomeric Smiles
C1(c2c(NC(C1)(C)C)ccc(c2)CC)(c1ccccc1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.2332797
LogD (pH = 7.4)
5.3054895
Log P
5.3064933
Molar Refractivity
102.4747
Polarizability
35.00063
Polar Surface Area
12.03
Rotatable Bonds
2
Lipinski's Rule of Five
false
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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