Molecule

ID:63008

General Information
Structure
Molecular Formula
C₇H₁₅ClN₂O₂
Molecular Mass
194.6592
Exact Mass
194.08220541
Charge
0
InChI
InChI=1S/C7H14N2O2.ClH/c1-9(2)7(10)6-5-8-3-4-11-6;/h6,8H,3-5H2,1-2H3;1H
InChIKey
QXKXZYMYPQIHAP-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)C1OCCNC1)C.Cl
Isomeric Smiles
C(=O)(C1OCCNC1)N(C)C.Cl
Calculated Properties
JChem
Acid pKa
18.05027
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.2743776
LogD (pH = 7.4)
-1.5779811
Log P
-1.0810298
Molar Refractivity
41.2134
Polarizability
16.35
Polar Surface Area
41.57
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
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Molecule Details
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References
Bioactivity
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