Molecule

ID:120937

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈ClN
Molecular Mass
187.70962
Exact Mass
187.11277726
Charge
0
InChI
InChI=1S/C10H17N.ClH/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;/h7-9H,1-6,11H2;1H/t7?,8?,9?,10-;
InChIKey
WOLHOYHSEKDWQH-APSBRFQUSA-N
Canonic Smiles
N[C@]12C[C@H]3C[C@@H](C2)C[C@@H](C1)C3.Cl
Isomeric Smiles
[C@@]12(C[C@@H]3C[C@H](C1)C[C@H](C2)C3)N.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.5643042
LogD (pH = 7.4)
-1.3837394
Log P
1.4659475
Molar Refractivity
45.5356
Polarizability
18.504875
Polar Surface Area
26.02
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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