Molecule

ID:35224

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁NO₂
Molecular Mass
141.16774
Exact Mass
141.0789786
Charge
0
InChI
InChI=1S/C7H11NO2/c1-5-7(3-4-9)6(2)10-8-5/h9H,3-4H2,1-2H3
InChIKey
QVSACOUKYXVIGR-UHFFFAOYSA-N
Canonic Smiles
OCCc1c(C)noc1C
Isomeric Smiles
n1oc(c(c1C)CCO)C
Calculated Properties
JChem
Acid pKa
15.623312
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.18996397
LogD (pH = 7.4)
0.19003326
Log P
0.19003415
Molar Refractivity
38.8121
Polarizability
14.098836
Polar Surface Area
46.26
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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