Molecule

ID:24948

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₁Cl₂N
Molecular Mass
310.26134
Exact Mass
309.10510504
Charge
0
InChI
InChI=1S/C17H21Cl2N/c18-14-2-1-13(4-15(14)19)17-7-11-3-12(8-17)6-16(5-11,9-17)10-20/h1-2,4,11-12H,3,5-10,20H2
InChIKey
YUIZCCUAZPUNCI-UHFFFAOYSA-N
Canonic Smiles
NCC12CC3CC(C1)CC(C2)(C3)c1ccc(c(c1)Cl)Cl
Isomeric Smiles
C12(c3cc(c(cc3)Cl)Cl)CC3(CC(C2)CC(C1)C3)CN
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.4273728
LogD (pH = 7.4)
2.0500927
Log P
4.4423714
Molar Refractivity
84.283
Polarizability
33.599968
Polar Surface Area
26.02
Rotatable Bonds
2
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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