Molecule

ID:21805

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀ClN
Molecular Mass
261.7897
Exact Mass
261.12842733
Charge
0
InChI
InChI=1S/C16H19N.ClH/c1-13-8-10-15(11-9-13)12-17-14(2)16-6-4-3-5-7-16;/h3-11,14,17H,12H2,1-2H3;1H
InChIKey
RTGWEWZOEKWPRA-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)CNC(c1ccccc1)C.Cl
Isomeric Smiles
N(C(c1ccccc1)C)Cc1ccc(cc1)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.0620437
LogD (pH = 7.4)
2.3498318
Log P
4.1860642
Molar Refractivity
73.3786
Polarizability
28.852446
Polar Surface Area
12.03
Rotatable Bonds
4
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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