Molecule

ID:28813

General Information
Structure
MolImage
Molecular Formula
C₁₇H₃₀N₂O
Molecular Mass
278.4329
Exact Mass
278.23581359
Charge
0
InChI
InChI=1S/C17H30N2O/c1-6-19(7-2)11-10-18-13-16(5)20-17-12-14(3)8-9-15(17)4/h8-9,12,16,18H,6-7,10-11,13H2,1-5H3
InChIKey
XFFDBPXJHRLHFP-UHFFFAOYSA-N
Canonic Smiles
CCN(CCNCC(Oc1cc(C)ccc1C)C)CC
Isomeric Smiles
c1(OC(CNCCN(CC)CC)C)c(ccc(c1)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.09145689
LogD (pH = 7.4)
1.468673
Log P
3.6268494
Molar Refractivity
87.2631
Polarizability
34.202656
Polar Surface Area
24.5
Rotatable Bonds
9
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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