Molecule

ID:74289

General Information
Structure
MolImage
Molecular Formula
C₈H₁₉ClN₂O₂
Molecular Mass
210.70166
Exact Mass
210.11350554
Charge
0
InChI
InChI=1S/C8H18N2O2.ClH/c1-8(2,3)12-7(11)10-6-5-9-4;/h9H,5-6H2,1-4H3,(H,10,11);1H
InChIKey
YHLRIQZPTHKMQS-UHFFFAOYSA-N
Canonic Smiles
CNCCNC(=O)OC(C)(C)C.Cl
Isomeric Smiles
O(C(=O)NCCNC)C(C)(C)C.Cl
Calculated Properties
JChem
Acid pKa
15.481636
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.6803572
LogD (pH = 7.4)
-1.6403749
Log P
0.5022351
Molar Refractivity
47.5162
Polarizability
18.901976
Polar Surface Area
50.36
Rotatable Bonds
5
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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