Molecule

ID:64637

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClNO₃
Molecular Mass
231.67606
Exact Mass
231.06622099
Charge
0
InChI
InChI=1S/C10H13NO3.ClH/c1-13-10(12)6-5-14-8-4-2-3-7(11)9(6)8;/h5,7H,2-4,11H2,1H3;1H
InChIKey
DJLBWAXXKYRRPV-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1coc2c1C(N)CCC2.Cl
Isomeric Smiles
c1(c2c(oc1)CCCC2N)C(=O)OC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8913674
LogD (pH = 7.4)
-0.53405184
Log P
0.9956233
Molar Refractivity
51.2834
Polarizability
19.735872
Polar Surface Area
65.46
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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