Molecule

ID:88552

General Information
Structure
Molecular Formula
C₁₀H₁₄ClNO
Molecular Mass
199.67726
Exact Mass
199.07639175
Charge
0
InChI
InChI=1S/C10H13NO.ClH/c1-12-9-4-2-8(3-5-9)10(11)6-7-10;/h2-5H,6-7,11H2,1H3;1H
InChIKey
XHLTUMCCYQMGGY-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C1(N)CC1.Cl
Isomeric Smiles
NC1(c2ccc(cc2)OC)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6658766
LogD (pH = 7.4)
-0.8030066
Log P
1.3306762
Molar Refractivity
48.0954
Polarizability
19.17395
Polar Surface Area
35.25
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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