Molecule

ID:21801

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂ClN
Molecular Mass
203.75208
Exact Mass
203.14407739
Charge
0
InChI
InChI=1S/C11H21N.ClH/c1-2-9-12-10-8-11-6-4-3-5-7-11;/h6,12H,2-5,7-10H2,1H3;1H
InChIKey
CRQXEJVKTTZBNY-UHFFFAOYSA-N
Canonic Smiles
CCCNCCC1=CCCCC1.Cl
Isomeric Smiles
C1(=CCCCC1)CCNCCC.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.4750737
LogD (pH = 7.4)
-0.18975529
Log P
2.7617705
Molar Refractivity
55.239
Polarizability
21.601955
Polar Surface Area
12.03
Rotatable Bonds
5
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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