Molecule

ID:21090

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄ClNO
Molecular Mass
247.72006
Exact Mass
247.07639175
Charge
0
InChI
InChI=1S/C14H14ClNO/c15-13-5-6-14(17-10-7-8-16-9-10)12-4-2-1-3-11(12)13/h1-6,10,16H,7-9H2
InChIKey
ZLJALOLCXDZSFU-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c2c1cccc2)OC1CNCC1
Isomeric Smiles
c1(c2c(c(cc1)Cl)cccc2)OC1CCNC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.23691261
LogD (pH = 7.4)
0.2644695
Log P
2.9928944
Molar Refractivity
69.0672
Polarizability
28.561468
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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