Molecule

ID:127525

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₇N
Molecular Mass
245.40298
Exact Mass
245.21434987
Charge
0
InChI
InChI=1S/C17H27N/c1-18(2)14-13-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3,5-6,9-10,16-17H,4,7-8,11-14H2,1-2H3
InChIKey
AJDSHXKJJDQZCJ-UHFFFAOYSA-N
Canonic Smiles
CN(CCC(c1ccccc1)C1CCCCC1)C
Isomeric Smiles
c1ccccc1C(CCN(C)C)C1CCCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.1342138
LogD (pH = 7.4)
2.3622768
Log P
4.5364594
Molar Refractivity
79.6557
Polarizability
31.394247
Polar Surface Area
3.24
Rotatable Bonds
5
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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