Molecule

ID:31384

General Information
Structure
Molecular Formula
C₁₃H₁₇NO
Molecular Mass
203.28018
Exact Mass
203.13101417
Charge
0
InChI
InChI=1S/C13H17NO/c1-9(2)14-10(3)6-12-7-11(8-15)4-5-13(12)14/h4-5,7-10H,6H2,1-3H3
InChIKey
NCDYVZCIBMESRD-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc2c(c1)CC(N2C(C)C)C
Isomeric Smiles
N1(c2c(CC1C)cc(C=O)cc2)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0218086
LogD (pH = 7.4)
3.0236154
Log P
3.0236385
Molar Refractivity
63.9664
Polarizability
23.607567
Polar Surface Area
20.31
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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