Molecule

ID:30934

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁NO
Molecular Mass
125.16834
Exact Mass
125.08406398
Charge
0
InChI
InChI=1S/C7H11NO/c1-5-3-4-7(9-5)6(2)8/h3-4,6H,8H2,1-2H3
InChIKey
XEWUTPKFVOPDCL-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(o1)C(N)C
Isomeric Smiles
c1(oc(cc1)C)C(N)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.8560765
LogD (pH = 7.4)
-0.21708557
Log P
0.77539724
Molar Refractivity
36.4908
Polarizability
14.160779
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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