Molecule

ID:34422

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClNO
Molecular Mass
213.70384
Exact Mass
213.09204182
Charge
0
InChI
InChI=1S/C11H15NO.ClH/c1-2-12-8-10-7-9-5-3-4-6-11(9)13-10;/h3-6,10,12H,2,7-8H2,1H3;1H
InChIKey
WJOUGRRZVNMMON-UHFFFAOYSA-N
Canonic Smiles
CCNCC1Cc2c(O1)cccc2.Cl
Isomeric Smiles
O1c2c(CC1CNCC)cccc2.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2917001
LogD (pH = 7.4)
-0.37220198
Log P
1.9076346
Molar Refractivity
52.974
Polarizability
20.943815
Polar Surface Area
21.26
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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