Molecule

ID:89015

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃N₃
Molecular Mass
175.23032
Exact Mass
175.11094743
Charge
0
InChI
InChI=1S/C10H13N3/c1-7-6-12-10(13-7)8-2-4-9(11)5-3-8/h2-5,7H,6,11H2,1H3,(H,12,13)
InChIKey
KLKKLKAARKRYCV-UHFFFAOYSA-N
Canonic Smiles
CC1CNC(=N1)c1ccc(cc1)N
Isomeric Smiles
N1=C(c2ccc(cc2)N)NCC1C
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.6030465
LogD (pH = 7.4)
-1.4799538
Log P
0.8111239
Molar Refractivity
54.1371
Polarizability
19.9565
Polar Surface Area
50.41
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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