Molecule

ID:15373

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀ClNO
Molecular Mass
205.7249
Exact Mass
205.12334195
Charge
0
InChI
InChI=1S/C10H19NO.ClH/c1-2-9(1)7-12-8-10-3-5-11-6-4-10;/h9-11H,1-8H2;1H
InChIKey
AIFWPBDGHDFXGV-UHFFFAOYSA-N
Canonic Smiles
O(CC1CC1)CC1CCNCC1.Cl
Isomeric Smiles
C1CC1COCC1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2219357
LogD (pH = 7.4)
-1.7611814
Log P
1.0094856
Molar Refractivity
49.9289
Polarizability
19.910645
Polar Surface Area
21.26
Rotatable Bonds
4
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
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References
Bioactivity
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