Molecule

ID:18998

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO
Molecular Mass
177.2429
Exact Mass
177.11536411
Charge
0
InChI
InChI=1S/C11H15NO/c1-7-5-10-6-9(8(2)12)3-4-11(10)13-7/h3-4,6-8H,5,12H2,1-2H3
InChIKey
CVNWHOLBLSNSPO-UHFFFAOYSA-N
Canonic Smiles
CC1Oc2c(C1)cc(cc2)C(N)C
Isomeric Smiles
c12c(OC(C2)C)ccc(c1)C(N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1928362
LogD (pH = 7.4)
-0.45088196
Log P
1.8143816
Molar Refractivity
53.1418
Polarizability
20.938578
Polar Surface Area
35.25
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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