Molecule

ID:87308

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀ClNO
Molecular Mass
253.7677
Exact Mass
253.12334195
Charge
0
InChI
InChI=1S/C14H19NO.ClH/c1-13(2)11-5-3-4-6-12(11)14(16-13)7-9-15-10-8-14;/h3-6,15H,7-10H2,1-2H3;1H
InChIKey
WKKLXFVOJPJHAE-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OC2(c3c1cccc3)CCNCC2.Cl
Isomeric Smiles
N1CCC2(c3ccccc3C(O2)(C)C)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3293482
LogD (pH = 7.4)
-0.36923027
Log P
1.8649285
Molar Refractivity
65.2827
Polarizability
25.827269
Polar Surface Area
21.26
Rotatable Bonds
0
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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