Molecule

ID:63004

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₆ClN₃O
Molecular Mass
323.86084
Exact Mass
323.17644015
Charge
0
InChI
InChI=1S/C17H25N3O.ClH/c21-17(12-14-6-9-18-10-7-14)20-11-2-1-5-16(20)15-4-3-8-19-13-15;/h3-4,8,13-14,16,18H,1-2,5-7,9-12H2;1H
InChIKey
CTPJPQNFOCPJBZ-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCCC1c1cccnc1)CC1CCNCC1.Cl
Isomeric Smiles
N1(C(=O)CC2CCNCC2)C(c2cnccc2)CCCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.1638227
LogD (pH = 7.4)
-1.43059
Log P
1.1261771
Molar Refractivity
83.5339
Polarizability
32.80267
Polar Surface Area
45.23
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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