Molecule

ID:20147

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀ClNO
Molecular Mass
277.7891
Exact Mass
277.12334195
Charge
0
InChI
InChI=1S/C16H19NO.ClH/c1-11(2)15-9-4-12(3)10-16(15)18-14-7-5-13(17)6-8-14;/h4-11H,17H2,1-3H3;1H
InChIKey
BINPKSPXKVFRAH-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)Oc1cc(C)ccc1C(C)C.Cl
Isomeric Smiles
c1(c(ccc(c1)C)C(C)C)Oc1ccc(N)cc1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.3656616
LogD (pH = 7.4)
4.4025464
Log P
4.4030375
Molar Refractivity
76.2312
Polarizability
29.046652
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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