Molecule
ID:121393
General Information
Molecular Formula
C₁₇H₂₇Cl₂N
Molecular Mass
316.30898
Exact Mass
315.15205523
Charge
0
InChI
InChI=1S/C17H26ClN.ClH/c1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14;/h6-9,13,16H,5,10-12H2,1-4H3;1H
InChIKey
UWAOJIWUVCMBAZ-UHFFFAOYSA-N
Canonic Smiles
CC(CC(C1(CCC1)c1ccc(cc1)Cl)N(C)C)C.Cl
Isomeric Smiles
C1(C(N(C)C)CC(C)C)(c2ccc(cc2)Cl)CCC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.7681136
LogD (pH = 7.4)
2.8568501
Log P
5.20185
Molar Refractivity
83.9214
Polarizability
33.18467
Polar Surface Area
3.24
Rotatable Bonds
5
Lipinski's Rule of Five
false
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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