Molecule

ID:87589

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆ClN
Molecular Mass
185.69374
Exact Mass
185.0971272
Charge
0
InChI
InChI=1S/C10H15N.ClH/c1-10(2,3)8-5-4-6-9(11)7-8;/h4-7H,11H2,1-3H3;1H
InChIKey
BACCRCHRMWNPPT-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)C(C)(C)C.Cl
Isomeric Smiles
Nc1cc(ccc1)C(C)(C)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.6212218
LogD (pH = 7.4)
2.6884472
Log P
2.689376
Molar Refractivity
49.4243
Polarizability
18.801702
Polar Surface Area
26.02
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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