Molecule

ID:128248

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₅N
Molecular Mass
291.4299
Exact Mass
291.19869981
Charge
0
InChI
InChI=1S/C21H25N/c1-21(2)19-13-7-5-10-17(19)16(12-9-15-22(3)4)18-11-6-8-14-20(18)21/h5-8,10-14H,9,15H2,1-4H3
InChIKey
GWWLWDURRGNSRS-UHFFFAOYSA-N
Canonic Smiles
CN(CC/C=C/1\c2ccccc2C(c2c1cccc2)(C)C)C
Isomeric Smiles
c1ccc2c(/C(=C/CCN(C)C)/c3c(cccc3)C2(C)C)c1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.520299
LogD (pH = 7.4)
2.6197355
Log P
4.9520326
Molar Refractivity
116.4243
Polarizability
37.178997
Polar Surface Area
3.24
Rotatable Bonds
3
Lipinski's Rule of Five
true
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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