Molecule

ID:37808

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClNO
Molecular Mass
199.67726
Exact Mass
199.07639175
Charge
0
InChI
InChI=1S/C10H13NO.ClH/c1-2-4-9(5-3-1)8-12-10-6-11-7-10;/h1-5,10-11H,6-8H2;1H
InChIKey
BQTSSUSLZRYTQB-UHFFFAOYSA-N
Canonic Smiles
N1CC(C1)OCc1ccccc1.Cl
Isomeric Smiles
C1NCC1OCc1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5817765
LogD (pH = 7.4)
-0.008801762
Log P
1.3728613
Molar Refractivity
48.0507
Polarizability
19.190552
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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