Molecule

ID:127991

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₅N
Molecular Mass
291.4299
Exact Mass
291.19869981
Charge
0
InChI
InChI=1S/C21H25N/c1-2-7-18(8-3-1)17-22-15-13-21(14-16-22)12-6-10-19-9-4-5-11-20(19)21/h1-5,7-9,11H,6,10,12-17H2
InChIKey
MLDCBJPLHBPJET-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)CN1CCC2(CC1)CCCc1c2cccc1
Isomeric Smiles
c1ccccc1CN1CCC2(CC1)CCCc1c2cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0043662
LogD (pH = 7.4)
3.7285042
Log P
4.980143
Molar Refractivity
93.7014
Polarizability
36.512417
Polar Surface Area
3.24
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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