Molecule

ID:75706

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁NO
Molecular Mass
137.17904
Exact Mass
137.08406398
Charge
0
InChI
InChI=1S/C8H11NO/c1-3-7(9-5-1)8-4-2-6-10-8/h2,4,6-7,9H,1,3,5H2
InChIKey
LIFJPSLQRGQNMM-UHFFFAOYSA-N
Canonic Smiles
C1CNC(C1)c1ccco1
Isomeric Smiles
o1c(ccc1)C1NCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.0909553
LogD (pH = 7.4)
-0.88546973
Log P
1.0574058
Molar Refractivity
38.9081
Polarizability
15.349743
Polar Surface Area
25.17
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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