Molecule

ID:21807

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈ClN
Molecular Mass
199.72032
Exact Mass
199.11277726
Charge
0
InChI
InChI=1S/C11H17N.ClH/c1-3-9-12-10(2)11-7-5-4-6-8-11;/h4-8,10,12H,3,9H2,1-2H3;1H
InChIKey
MWFQDURQIBCXNP-UHFFFAOYSA-N
Canonic Smiles
CCCNC(c1ccccc1)C.Cl
Isomeric Smiles
c1(C(NCCC)C)ccccc1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.39150408
LogD (pH = 7.4)
0.31081074
Log P
2.8275
Molar Refractivity
52.9974
Polarizability
21.137407
Polar Surface Area
12.03
Rotatable Bonds
4
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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