Molecule

ID:21029

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)12-10-6-7-11-8-10;/h1-5,10-11H,6-8H2;1H
InChIKey
NHLZTNBPPGIUMZ-UHFFFAOYSA-N
Canonic Smiles
C1NCC(C1)Oc1ccccc1.Cl
Isomeric Smiles
N1CCC(Oc2ccccc2)C1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8310982
LogD (pH = 7.4)
-1.3459517
Log P
1.399373
Molar Refractivity
47.8122
Polarizability
19.179514
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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