Molecule

ID:53040

General Information
Structure
MolImage
Molecular Formula
C₄H₁₁ClN₂O₂
Molecular Mass
154.59534
Exact Mass
154.05090528
Charge
0
InChI
InChI=1S/C4H10N2O2.ClH/c1-6-2-3(5)4(7)8;/h3,6H,2,5H2,1H3,(H,7,8);1H/t3-;/m0./s1
InChIKey
VDXYGASOGLSIDM-DFWYDOINSA-N
Canonic Smiles
CNC[C@@H](C(=O)O)N.Cl
Isomeric Smiles
C(=O)([C@H](CNC)N)O.Cl
Calculated Properties
JChem
Acid pKa
1.9565612
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-4.890651
LogD (pH = 7.4)
-3.8186586
Log P
-3.7745397
Molar Refractivity
28.4731
Polarizability
11.706662
Polar Surface Area
75.35
Rotatable Bonds
3
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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