Molecule

ID:71217

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃N₃O
Molecular Mass
155.19762
Exact Mass
155.10586205
Charge
0
InChI
InChI=1S/C7H13N3O/c1-4-10(5-2-8-1)7-9-3-6-11-7/h8H,1-6H2
InChIKey
KKWQVDHBPUSZSK-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)C1=NCCO1
Isomeric Smiles
O1C(=NCC1)N1CCNCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.353115
LogD (pH = 7.4)
-1.7488625
Log P
-0.31842744
Molar Refractivity
42.29
Polarizability
16.26416
Polar Surface Area
36.86
Rotatable Bonds
0
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
No Data Available
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Molecule Details
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References
Bioactivity
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