Molecule

ID:106952

General Information
Structure
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Molecular Formula
C₄H₁₁NO
Molecular Mass
89.13624
Exact Mass
89.08406398
Charge
0
InChI
InChI=1S/C4H11NO/c1-3-5(6)4-2/h6H,3-4H2,1-2H3
InChIKey
FVCOIAYSJZGECG-UHFFFAOYSA-N
Canonic Smiles
CCN(CC)O
Isomeric Smiles
CCN(O)CC
Calculated Properties
JChem
Acid pKa
15.580632
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.12029295
LogD (pH = 7.4)
0.13865052
Log P
0.13888969
Molar Refractivity
25.9552
Polarizability
10.242338
Polar Surface Area
23.47
Rotatable Bonds
2
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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