Molecule

ID:38141

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈ClN₃O₂
Molecular Mass
247.72182
Exact Mass
247.10875451
Charge
0
InChI
InChI=1S/C10H17N3O2.ClH/c1-14-7-5-9-12-10(15-13-9)8-4-2-3-6-11-8;/h8,11H,2-7H2,1H3;1H
InChIKey
FALQZAFITJWXGM-UHFFFAOYSA-N
Canonic Smiles
COCCc1noc(n1)C1CCCCN1.Cl
Isomeric Smiles
o1c(C2NCCCC2)nc(n1)CCOC.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.7181623
LogD (pH = 7.4)
0.7358339
Log P
0.92728233
Molar Refractivity
56.9136
Polarizability
21.616043
Polar Surface Area
60.18
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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