Molecule

ID:48945

General Information
Structure
Molecular Formula
C₁₀H₁₈ClN₃O₂
Molecular Mass
247.72182
Exact Mass
247.10875451
Charge
0
InChI
InChI=1S/C10H17N3O2.ClH/c14-9-7-13(6-5-12-9)10(15)8-3-1-2-4-11-8;/h8,11H,1-7H2,(H,12,14);1H
InChIKey
ZOICQCJEYRFUBX-UHFFFAOYSA-N
Canonic Smiles
O=C1NCCN(C1)C(=O)C1CCCCN1.Cl
Isomeric Smiles
N1(C(=O)C2NCCCC2)CC(=O)NCC1.Cl
Calculated Properties
JChem
Acid pKa
14.306248
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.148953
LogD (pH = 7.4)
-2.5043213
Log P
-1.2889714
Molar Refractivity
55.1154
Polarizability
21.672688
Polar Surface Area
61.44
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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