Molecule

ID:6785

General Information
Structure
Molecular Formula
C₁₆H₂₀ClNO
Molecular Mass
277.7891
Exact Mass
277.12334195
Charge
0
InChI
InChI=1S/C16H19NO.ClH/c1-16(2,12-7-5-4-6-8-12)13-9-10-15(18-3)14(17)11-13;/h4-11H,17H2,1-3H3;1H
InChIKey
RWWWQPKHGYNPPA-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1N)C(c1ccccc1)(C)C.Cl
Isomeric Smiles
c1c(ccc(c1N)OC)C(c1ccccc1)(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.6306596
LogD (pH = 7.4)
3.6650522
Log P
3.6655087
Molar Refractivity
86.4769
Polarizability
29.065752
Polar Surface Area
35.25
Rotatable Bonds
3
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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