Molecule

ID:69864

General Information
Structure
Molecular Formula
C₁₁H₁₇ClN₂O
Molecular Mass
228.71848
Exact Mass
228.10294085
Charge
0
InChI
InChI=1S/C11H16N2O.ClH/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13;/h2-5,12H,6-9H2,1H3;1H
InChIKey
DDMVHGULHRJOEC-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1N1CCNCC1.Cl
Isomeric Smiles
N1(CCNCC1)c1c(cccc1)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.6008211
LogD (pH = 7.4)
-0.06333706
Log P
1.3876901
Molar Refractivity
57.7052
Polarizability
22.153334
Polar Surface Area
24.5
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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