Molecule

ID:89141

General Information
Structure
Molecular Formula
C₄H₉NO
Molecular Mass
87.12036
Exact Mass
87.06841391
Charge
0
InChI
InChI=1S/C4H9NO/c6-4-1-2-5-3-4/h4-6H,1-3H2/t4-/m0/s1
InChIKey
JHHZLHWJQPUNKB-BYPYZUCNSA-N
Canonic Smiles
O[C@@H]1CNCC1
Isomeric Smiles
N1CC[C@@H](C1)O
Calculated Properties
JChem
Acid pKa
14.857613
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-4.1708517
LogD (pH = 7.4)
-3.8556705
Log P
-0.93477863
Molar Refractivity
23.5523
Polarizability
9.517664
Polar Surface Area
32.26
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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