Molecule

ID:30617

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁N₃
Molecular Mass
137.18234
Exact Mass
137.09529737
Charge
0
InChI
InChI=1S/C7H11N3/c1-6(8)4-7-5-9-2-3-10-7/h2-3,5-6H,4,8H2,1H3
InChIKey
NUCGDQSFJGMQQA-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1cnccn1)N
Isomeric Smiles
n1c(CC(N)C)cncc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.6082919
LogD (pH = 7.4)
-2.8637292
Log P
-0.601271
Molar Refractivity
38.8136
Polarizability
15.506911
Polar Surface Area
51.8
Rotatable Bonds
2
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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