Molecule

ID:24947

General Information
Structure
Molecular Formula
C₁₇H₂₂ClN
Molecular Mass
275.81628
Exact Mass
275.14407739
Charge
0
InChI
InChI=1S/C17H22ClN/c18-15-3-1-14(2-4-15)17-8-12-5-13(9-17)7-16(6-12,10-17)11-19/h1-4,12-13H,5-11,19H2
InChIKey
XFUINEUGCHITSD-UHFFFAOYSA-N
Canonic Smiles
NCC12CC3CC(C1)CC(C2)(C3)c1ccc(cc1)Cl
Isomeric Smiles
C12(CC3(CC(C1)CC(C2)C3)CN)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.82332814
LogD (pH = 7.4)
1.4460479
Log P
3.8383265
Molar Refractivity
79.4782
Polarizability
31.713785
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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