Molecule

ID:43032

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇NO
Molecular Mass
203.28018
Exact Mass
203.13101417
Charge
0
InChI
InChI=1S/C13H17NO/c1-3-14(4-2)13(15)11-10-12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3/b11-10+
InChIKey
GUYVMSJRMMFSQO-ZHACJKMWSA-N
Canonic Smiles
CCN(C(=O)/C=C/c1ccccc1)CC
Isomeric Smiles
C(=O)(/C=C/c1ccccc1)N(CC)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4900491
LogD (pH = 7.4)
2.4901109
Log P
2.4901116
Molar Refractivity
64.1727
Polarizability
24.280989
Polar Surface Area
20.31
Rotatable Bonds
4
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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