Molecule

ID:42262

General Information
Structure
MolImage
Molecular Formula
C₄H₁₁ClN₂O
Molecular Mass
138.59594
Exact Mass
138.05599066
Charge
0
InChI
InChI=1S/C4H10N2O.ClH/c1-6(2)4(7)3-5;/h3,5H2,1-2H3;1H
InChIKey
MXDZKEPRCKHSCM-UHFFFAOYSA-N
Canonic Smiles
NCC(=O)N(C)C.Cl
Isomeric Smiles
C(=O)(N(C)C)CN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.9954517
LogD (pH = 7.4)
-2.311449
Log P
-1.507066
Molar Refractivity
27.619
Polarizability
10.84336
Polar Surface Area
46.33
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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