Molecule

ID:119504

General Information
Structure
MolImage
Molecular Formula
C₁₅H₃₁NO
Molecular Mass
241.41274
Exact Mass
241.24056462
Charge
0
InChI
InChI=1S/C15H31NO/c1-12(2)5-6-13(7-9-16)14-8-10-17-15(3,4)11-14/h12-14H,5-11,16H2,1-4H3
InChIKey
JTVOKOLBCYUZGT-UHFFFAOYSA-N
Canonic Smiles
NCCC(C1CCOC(C1)(C)C)CCC(C)C
Isomeric Smiles
C1(OCCC(C1)C(CCC(C)C)CCN)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.18859753
LogD (pH = 7.4)
0.6135349
Log P
3.2124074
Molar Refractivity
74.4485
Polarizability
29.871563
Polar Surface Area
35.25
Rotatable Bonds
6
Lipinski's Rule of Five
true
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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