Molecule

ID:71987

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀ClNO
Molecular Mass
159.6134
Exact Mass
159.04509163
Charge
0
InChI
InChI=1S/C7H9NO.ClH/c8-7(2-3-7)6-1-4-9-5-6;/h1,4-5H,2-3,8H2;1H
InChIKey
BUOQCLITPHKAKW-UHFFFAOYSA-N
Canonic Smiles
NC1(CC1)c1cocc1.Cl
Isomeric Smiles
C1C(C1)(c1cocc1)N.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.2776554
LogD (pH = 7.4)
-0.96835726
Log P
0.628593
Molar Refractivity
34.1456
Polarizability
13.50709
Polar Surface Area
39.16
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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