Molecule

ID:21383

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClNO
Molecular Mass
199.67726
Exact Mass
199.07639175
Charge
0
InChI
InChI=1S/C10H13NO.ClH/c1-12-10-3-2-9-7-11-5-4-8(9)6-10;/h2-3,6,11H,4-5,7H2,1H3;1H
InChIKey
QIUIKPQXMJJOQT-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)CCNC2.Cl
Isomeric Smiles
C1NCCc2cc(ccc12)OC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7129112
LogD (pH = 7.4)
-0.43328735
Log P
1.4138119
Molar Refractivity
49.0788
Polarizability
19.094114
Polar Surface Area
21.26
Rotatable Bonds
1
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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