Molecule

ID:48850

General Information
Structure
MolImage
Molecular Formula
C₈H₁₉ClN₂O₂
Molecular Mass
210.70166
Exact Mass
210.11350554
Charge
0
InChI
InChI=1S/C8H18N2O2.ClH/c1-4-10(5-6-11)7(12)8(2,3)9;/h11H,4-6,9H2,1-3H3;1H
InChIKey
NFPXOOJSJQCRFC-UHFFFAOYSA-N
Canonic Smiles
OCCN(C(=O)C(N)(C)C)CC.Cl
Isomeric Smiles
C(=O)(C(N)(C)C)N(CCO)CC.Cl
Calculated Properties
JChem
Acid pKa
15.574181
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.6193616
LogD (pH = 7.4)
-2.091893
Log P
-0.83883
Molar Refractivity
47.8671
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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