Molecule

ID:13334

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₆N₂O
Molecular Mass
238.36904
Exact Mass
238.20451346
Charge
0
InChI
InChI=1S/C14H26N2O/c1-2-5-14(6-3-1)13-15-7-4-8-16-9-11-17-12-10-16/h1-2,14-15H,3-13H2
InChIKey
QDBFOYVRKFPXBU-UHFFFAOYSA-N
Canonic Smiles
C(CCN1CCOCC1)NCC1CCC=CC1
Isomeric Smiles
C1=CCCC(C1)CNCCCN1CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.5013528
LogD (pH = 7.4)
-1.6466238
Log P
1.4195869
Molar Refractivity
73.514
Polarizability
28.57519
Polar Surface Area
24.5
Rotatable Bonds
6
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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