Molecule

ID:65041

General Information
Structure
Molecular Formula
C₅H₁₀ClNO
Molecular Mass
135.592
Exact Mass
135.04509163
Charge
0
InChI
InChI=1S/C5H9NO.ClH/c1-4-3-7-5(1)2-6-4;/h4-6H,1-3H2;1H/t4-,5-;/m0./s1
InChIKey
ZFOKPFPITUUCJX-FHAQVOQBSA-N
Canonic Smiles
C1O[C@@H]2C[C@H]1NC2.Cl
Isomeric Smiles
C1[C@@H]2NC[C@H](O1)C2.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.5405872
LogD (pH = 7.4)
-2.2946813
Log P
-0.40341
Molar Refractivity
26.0047
Polarizability
10.704033
Polar Surface Area
21.26
Rotatable Bonds
0
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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