Molecule

ID:48816

General Information
Structure
MolImage
Molecular Formula
C₈H₁₉ClN₂O₂
Molecular Mass
210.70166
Exact Mass
210.11350554
Charge
0
InChI
InChI=1S/C8H18N2O2.ClH/c1-6(2)7(9)8(12)10(3)4-5-11;/h6-7,11H,4-5,9H2,1-3H3;1H
InChIKey
FRXVVTADUKZJDM-UHFFFAOYSA-N
Canonic Smiles
OCCN(C(=O)C(C(C)C)N)C.Cl
Isomeric Smiles
C(=O)(C(N)C(C)C)N(CCO)C.Cl
Calculated Properties
JChem
Acid pKa
15.574768
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.4603739
LogD (pH = 7.4)
-1.8758415
Log P
-0.74090856
Molar Refractivity
47.4008
Polarizability
18.831045
Polar Surface Area
66.56
Rotatable Bonds
4
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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