Molecule

ID:21037

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClNO
Molecular Mass
211.68796
Exact Mass
211.07639175
Charge
0
InChI
InChI=1S/C11H14ClNO/c1-8-2-3-10(12)11(6-8)14-9-4-5-13-7-9/h2-3,6,9,13H,4-5,7H2,1H3
InChIKey
DNEFJUMNUGTKAY-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)OC1CNCC1)Cl
Isomeric Smiles
c1(OC2CCNC2)c(ccc(c1)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.71244264
LogD (pH = 7.4)
-0.19865246
Log P
2.516839
Molar Refractivity
57.6582
Polarizability
22.811228
Polar Surface Area
21.26
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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