Molecule

ID:34892

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₈N₂O
Molecular Mass
276.41702
Exact Mass
276.22016353
Charge
0
InChI
InChI=1S/C17H28N2O/c1-4-14(2)19(3)13-15-6-5-7-16(12-15)17(20)8-10-18-11-9-17/h5-7,12,14,18,20H,4,8-11,13H2,1-3H3
InChIKey
VLOFATMPYBXDQB-UHFFFAOYSA-N
Canonic Smiles
CCC(N(Cc1cccc(c1)C1(O)CCNCC1)C)C
Isomeric Smiles
C1(c2cc(CN(C(CC)C)C)ccc2)(CCNCC1)O
Calculated Properties
JChem
Acid pKa
13.981654
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.5610924
LogD (pH = 7.4)
-2.2156947
Log P
2.010725
Molar Refractivity
85.154
Polarizability
33.55254
Polar Surface Area
35.5
Rotatable Bonds
5
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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