Molecule

ID:85110

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀ClNO
Molecular Mass
205.7249
Exact Mass
205.12334195
Charge
0
InChI
InChI=1S/C10H20ClNO/c1-9(2,3)7(11)8(13)12-10(4,5)6/h7H,1-6H3,(H,12,13)
InChIKey
AVCFCEKGTUULBO-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C(C)(C)C)Cl)NC(C)(C)C
Isomeric Smiles
N(C(=O)C(C(C)(C)C)Cl)C(C)(C)C
Calculated Properties
JChem
Acid pKa
13.510128
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.6189516
LogD (pH = 7.4)
2.6189513
Log P
2.6189516
Molar Refractivity
55.809
Polarizability
22.183807
Polar Surface Area
29.1
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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Related Proteins
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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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