Molecule

ID:88784

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁NO
Molecular Mass
137.17904
Exact Mass
137.08406398
Charge
0
InChI
InChI=1S/C8H11NO/c10-7-6-9-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2
InChIKey
MWGATWIBSKHFMR-UHFFFAOYSA-N
Canonic Smiles
OCCNc1ccccc1
Isomeric Smiles
N(c1ccccc1)CCO
Calculated Properties
JChem
Acid pKa
15.588412
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.73456347
LogD (pH = 7.4)
0.75564635
Log P
0.75592196
Molar Refractivity
42.5441
Polarizability
15.772449
Polar Surface Area
32.26
Rotatable Bonds
3
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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