Molecule

ID:130361

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₆N₂O
Molecular Mass
274.40114
Exact Mass
274.20451346
Charge
0
InChI
InChI=1S/C17H26N2O/c1-3-17(20)19(16-10-6-4-7-11-16)15(2)14-18-12-8-5-9-13-18/h4,6-7,10-11,15H,3,5,8-9,12-14H2,1-2H3/t15-/m1/s1
InChIKey
DHTRHEVNFFZCNU-OAHLLOKOSA-N
Canonic Smiles
CCC(=O)N(c1ccccc1)[C@@H](CN1CCCCC1)C
Isomeric Smiles
CCC(=O)N([C@H](C)CN1CCCCC1)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.17534809
LogD (pH = 7.4)
1.9243628
Log P
3.0611439
Molar Refractivity
83.2437
Polarizability
32.597343
Polar Surface Area
23.55
Rotatable Bonds
5
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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