Molecule

ID:43183

General Information
Structure
MolImage
Molecular Formula
C₁₇H₃₀N₂O
Molecular Mass
278.4329
Exact Mass
278.23581359
Charge
0
InChI
InChI=1S/C17H30N2O/c1-7-8-13(2)14-9-15(11-18(3)4)17(20)16(10-14)12-19(5)6/h9-10,13,20H,7-8,11-12H2,1-6H3
InChIKey
AXCAGFCIWIIIHF-UHFFFAOYSA-N
Canonic Smiles
CCCC(c1cc(CN(C)C)c(c(c1)CN(C)C)O)C
Isomeric Smiles
c1(c(c(cc(c1)C(CCC)C)CN(C)C)O)CN(C)C
Calculated Properties
JChem
Acid pKa
7.3863974
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.49936
LogD (pH = 7.4)
0.502903
Log P
2.105837
Molar Refractivity
88.5171
Polarizability
34.195877
Polar Surface Area
26.71
Rotatable Bonds
7
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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