Molecule

ID:55068

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈ClN₃O
Molecular Mass
207.70102
Exact Mass
207.11383989
Charge
0
InChI
InChI=1S/C8H17N3O.ClH/c1-2-10-8(12)11-5-3-7(9)4-6-11;/h7H,2-6,9H2,1H3,(H,10,12);1H
InChIKey
RWOPCVUICHJAOR-UHFFFAOYSA-N
Canonic Smiles
CCNC(=O)N1CCC(CC1)N.Cl
Isomeric Smiles
N1(C(=O)NCC)CCC(CC1)N.Cl
Calculated Properties
JChem
Acid pKa
15.779456
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-4.142645
LogD (pH = 7.4)
-3.5736768
Log P
-1.1248199
Molar Refractivity
47.9631
Polarizability
18.61435
Polar Surface Area
58.36
Rotatable Bonds
1
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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