Molecule

ID:21065

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂ClNO
Molecular Mass
255.78358
Exact Mass
255.13899201
Charge
0
InChI
InChI=1S/C14H21NO.ClH/c1-10(2)13-5-4-11(3)8-14(13)16-12-6-7-15-9-12;/h4-5,8,10,12,15H,6-7,9H2,1-3H3;1H
InChIKey
SQROVNHBNBXEPC-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)OC1CNCC1)C(C)C.Cl
Isomeric Smiles
C1C(CNC1)Oc1c(ccc(c1)C)C(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.0729324
LogD (pH = 7.4)
0.40556064
Log P
3.1578035
Molar Refractivity
67.0442
Polarizability
26.402613
Polar Surface Area
21.26
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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