Molecule

ID:112649

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄O
Molecular Mass
114.18546
Exact Mass
114.10446507
Charge
0
InChI
InChI=1S/C7H14O/c1-6-4-2-3-5-7(6)8/h6-8H,2-5H2,1H3/t6-,7-/m0/s1
InChIKey
NDVWOBYBJYUSMF-BQBZGAKWSA-N
Canonic Smiles
C[C@H]1CCCC[C@@H]1O
Isomeric Smiles
C[C@H]1CCCC[C@@H]1O
Calculated Properties
JChem
Acid pKa
18.738367
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.6456662
LogD (pH = 7.4)
1.6456662
Log P
1.6456662
Molar Refractivity
33.7471
Polarizability
13.512976
Polar Surface Area
20.23
Rotatable Bonds
0
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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