Molecule

ID:48893

General Information
Structure
Molecular Formula
C₁₇H₂₇ClN₂O
Molecular Mass
310.86208
Exact Mass
310.18119117
Charge
0
InChI
InChI=1S/C17H26N2O.ClH/c1-2-19(15-11-7-4-8-12-15)17(20)16(18)13-14-9-5-3-6-10-14;/h3,5-6,9-10,15-16H,2,4,7-8,11-13,18H2,1H3;1H
InChIKey
LTMBSCUDRCJBNI-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)C(Cc1ccccc1)N)C1CCCCC1.Cl
Isomeric Smiles
C(=O)(N(C1CCCCC1)CC)C(Cc1ccccc1)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.48280385
LogD (pH = 7.4)
2.1767976
Log P
2.874103
Molar Refractivity
82.4947
Polarizability
32.609444
Polar Surface Area
46.33
Rotatable Bonds
5
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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