Molecule

ID:38255

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClN₂O₂
Molecular Mass
242.702
Exact Mass
242.08220541
Charge
0
InChI
InChI=1S/C11H14N2O2.ClH/c1-2-8(12)7-13-9-5-3-4-6-10(9)15-11(13)14;/h3-6,8H,2,7,12H2,1H3;1H/t8-;/m1./s1
InChIKey
GWZCWUILLWHPGT-DDWIOCJRSA-N
Canonic Smiles
CC[C@H](Cn1c(=O)oc2c1cccc2)N.Cl
Isomeric Smiles
n1(c(=O)oc2c1cccc2)C[C@H](N)CC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.6348109
LogD (pH = 7.4)
-0.5899504
Log P
1.3378063
Molar Refractivity
56.2727
Polarizability
22.198717
Polar Surface Area
55.56
Rotatable Bonds
3
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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