Molecule
ID:83597
General Information
Molecular Formula
C₁₇H₂₂ClNO₂
Molecular Mass
307.81508
Exact Mass
307.13390663
Charge
0
InChI
InChI=1S/C17H22ClNO2/c1-3-4-5-6-9-12-17(18)15(20)13-10-7-8-11-14(13)19(2)16(17)21/h7-8,10-11H,3-6,9,12H2,1-2H3
InChIKey
STNVZLITROCZQL-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCC1(Cl)C(=O)N(C)c2c(C1=O)cccc2
Isomeric Smiles
N1(C(=O)C(C(=O)c2ccccc12)(Cl)CCCCCCC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.565809
LogD (pH = 7.4)
4.565809
Log P
4.565809
Molar Refractivity
84.7716
Polarizability
32.93029
Polar Surface Area
37.38
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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