Molecule

ID:48743

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄ClN₃O₂
Molecular Mass
207.65796
Exact Mass
207.07745438
Charge
0
InChI
InChI=1S/C7H13N3O2.ClH/c1-5(8)7(12)10-3-2-9-6(11)4-10;/h5H,2-4,8H2,1H3,(H,9,11);1H
InChIKey
IEUQQEYLTKWGEI-UHFFFAOYSA-N
Canonic Smiles
O=C1NCCN(C1)C(=O)C(N)C.Cl
Isomeric Smiles
N1(C(=O)C(N)C)CC(=O)NCC1.Cl
Calculated Properties
JChem
Acid pKa
14.241896
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.6657853
LogD (pH = 7.4)
-2.9762595
Log P
-2.21511
Molar Refractivity
42.9474
Polarizability
16.899183
Polar Surface Area
75.43
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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