Molecule

ID:11029

General Information
Structure
Molecular Formula
C₁₁H₁₁NO
Molecular Mass
173.21114
Exact Mass
173.08406398
Charge
0
InChI
InChI=1S/C11H11NO/c1-8-6-7-11(13-8)9-4-2-3-5-10(9)12/h2-7H,12H2,1H3
InChIKey
UVRYILJTFOZSDU-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(o1)c1ccccc1N
Isomeric Smiles
c1cc(oc1c1c(cccc1)N)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.04959
LogD (pH = 7.4)
2.051331
Log P
2.0513532
Molar Refractivity
53.4352
Polarizability
21.09634
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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