Molecule

ID:48813

General Information
Structure
Molecular Formula
C₇H₁₇ClN₂O
Molecular Mass
180.67568
Exact Mass
180.10294085
Charge
0
InChI
InChI=1S/C7H16N2O.ClH/c1-5(2)6(8)7(10)9(3)4;/h5-6H,8H2,1-4H3;1H/t6-;/m0./s1
InChIKey
DSTBQDHPDXXUIC-RGMNGODLSA-N
Canonic Smiles
CC([C@@H](C(=O)N(C)C)N)C.Cl
Isomeric Smiles
C(=O)([C@@H](N)C(C)C)N(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.770459
LogD (pH = 7.4)
-1.186073
Log P
-0.050806575
Molar Refractivity
41.1085
Polarizability
16.35698
Polar Surface Area
46.33
Rotatable Bonds
2
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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