Molecule

ID:33498

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁ClN₂O
Molecular Mass
174.62804
Exact Mass
174.05599066
Charge
0
InChI
InChI=1S/C7H11ClN2O/c1-5(2)3-7-9-6(4-8)10-11-7/h5H,3-4H2,1-2H3
InChIKey
MLTXNTRNFCWCPQ-UHFFFAOYSA-N
Canonic Smiles
ClCc1noc(n1)CC(C)C
Isomeric Smiles
n1c(noc1CC(C)C)CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4679601
LogD (pH = 7.4)
2.4679601
Log P
2.4679601
Molar Refractivity
44.2689
Polarizability
16.468077
Polar Surface Area
38.92
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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