Molecule

ID:63984

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₅N
Molecular Mass
291.4299
Exact Mass
291.19869981
Charge
0
InChI
InChI=1S/C21H25N/c1-3-8-19(9-4-1)12-7-13-20-14-16-22(17-15-20)18-21-10-5-2-6-11-21/h1-6,8-11,14H,7,12-13,15-18H2
InChIKey
RJKHELOCNIIEFU-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)CCCC1=CCN(CC1)Cc1ccccc1
Isomeric Smiles
c1(CN2CC=C(CCCc3ccccc3)CC2)ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1556783
LogD (pH = 7.4)
3.8152535
Log P
5.269866
Molar Refractivity
95.8853
Polarizability
37.115387
Polar Surface Area
3.24
Rotatable Bonds
6
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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