Molecule

ID:90916

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉ClN₂O
Molecular Mass
206.71296
Exact Mass
206.11859092
Charge
0
InChI
InChI=1S/C9H18N2O.ClH/c1-9(2,3)8(12)11-5-4-7(10)6-11;/h7H,4-6,10H2,1-3H3;1H/t7-;/m1./s1
InChIKey
VWIYDFCZYTWBDH-OGFXRTJISA-N
Canonic Smiles
N[C@@H]1CCN(C1)C(=O)C(C)(C)C.Cl
Isomeric Smiles
N1(C(=O)C(C)(C)C)CC[C@H](C1)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.6071892
LogD (pH = 7.4)
-1.576983
Log P
0.3678183
Molar Refractivity
48.4781
Polarizability
19.311396
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
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Molecule Details
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References
Bioactivity
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