Molecule

ID:88787

General Information
Structure
MolImage
Molecular Formula
C₄H₈O
Molecular Mass
72.10572
Exact Mass
72.05751488
Charge
0
InChI
InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1
InChIKey
RBACIKXCRWGCBB-BYPYZUCNSA-N
Canonic Smiles
CC[C@H]1CO1
Isomeric Smiles
O1C[C@@H]1CC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.8921219
LogD (pH = 7.4)
0.8921219
Log P
0.8921219
Molar Refractivity
19.9863
Polarizability
8.060449
Polar Surface Area
12.53
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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