Molecule

ID:16910

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₆N₂O₂
Molecular Mass
254.36844
Exact Mass
254.19942808
Charge
0
InChI
InChI=1S/C14H26N2O2/c1-2-7-15-9-5-13(6-10-15)16-8-3-4-12(11-16)14(17)18/h12-13H,2-11H2,1H3,(H,17,18)
InChIKey
DZRSRWZRQUUFNV-UHFFFAOYSA-N
Canonic Smiles
CCCN1CCC(CC1)N1CCCC(C1)C(=O)O
Isomeric Smiles
N1(C2CCN(CC2)CCC)CC(CCC1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.6621065
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.553415
LogD (pH = 7.4)
-1.8552049
Log P
-1.4353079
Molar Refractivity
72.9397
Polarizability
28.620644
Polar Surface Area
43.78
Rotatable Bonds
4
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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