Molecule

ID:12705

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉ClN₂O
Molecular Mass
302.79856
Exact Mass
302.11859092
Charge
0
InChI
InChI=1S/C17H19ClN2O/c1-11-5-6-14-13(9-11)12-3-2-4-15-17(12)20(14)8-7-19(15)16(21)10-18/h5-6,9,15H,2-4,7-8,10H2,1H3
InChIKey
GFAMGQKPRPMKPF-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)N1CCn2c3C1CCCc3c1c2ccc(c1)C
Isomeric Smiles
c1cc2c(cc1C)c1c3n2CCN(C3CCC1)C(=O)CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2520092
LogD (pH = 7.4)
3.2520092
Log P
3.2520092
Molar Refractivity
84.7398
Polarizability
33.509445
Polar Surface Area
25.24
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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