Molecule

ID:126282

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₀N₂O₂
Molecular Mass
306.443
Exact Mass
306.23072821
Charge
0
InChI
InChI=1S/C18H30N2O2/c1-3-5-12-20(13-6-4-2)14-7-15-22-18(21)16-8-10-17(19)11-9-16/h8-11H,3-7,12-15,19H2,1-2H3
InChIKey
HQFWVSGBVLEQGA-UHFFFAOYSA-N
Canonic Smiles
CCCCN(CCCC)CCCOC(=O)c1ccc(cc1)N
Isomeric Smiles
O=C(OCCCN(CCCC)CCCC)c1ccc(N)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.38411018
LogD (pH = 7.4)
0.8836578
Log P
3.8741992
Molar Refractivity
93.4154
Polarizability
35.836945
Polar Surface Area
55.56
Rotatable Bonds
12
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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