Molecule

ID:29610

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₁ClN₂
Molecular Mass
288.81504
Exact Mass
288.13932636
Charge
0
InChI
InChI=1S/C17H21ClN2/c1-3-20(4-2)17-11-9-16(10-12-17)19-13-14-5-7-15(18)8-6-14/h5-12,19H,3-4,13H2,1-2H3
InChIKey
ORUOFTQRHQYLIH-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccc(cc1)NCc1ccc(cc1)Cl)CC
Isomeric Smiles
c1(N(CC)CC)ccc(NCc2ccc(Cl)cc2)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.6740918
LogD (pH = 7.4)
4.2701926
Log P
4.5962014
Molar Refractivity
89.595
Polarizability
33.28074
Polar Surface Area
15.27
Rotatable Bonds
6
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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