Molecule

ID:19258

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇NO
Molecular Mass
191.26948
Exact Mass
191.13101417
Charge
0
InChI
InChI=1S/C12H17NO/c1-3-11(13)9-4-5-12-10(7-9)6-8(2)14-12/h4-5,7-8,11H,3,6,13H2,1-2H3
InChIKey
ZZHKIYFEXZSVMA-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc2c(c1)CC(O2)C)N
Isomeric Smiles
c12c(OC(C2)C)ccc(c1)C(N)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.6724663
LogD (pH = 7.4)
0.039872907
Log P
2.336904
Molar Refractivity
57.6658
Polarizability
22.78424
Polar Surface Area
35.25
Rotatable Bonds
2
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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