Molecule

ID:71011

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃N₃O
Molecular Mass
203.24042
Exact Mass
203.10586205
Charge
0
InChI
InChI=1S/C11H13N3O/c1-3-13-11(9-2-8-15-10(1)9)14-6-4-12-5-7-14/h1-3,8,12H,4-7H2
InChIKey
LUIZVTKJWSGSPA-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)c1nccc2c1cco2
Isomeric Smiles
c1(c2c(ccn1)occ2)N1CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.8735149
LogD (pH = 7.4)
-0.2902107
Log P
1.0812699
Molar Refractivity
58.2397
Polarizability
23.118885
Polar Surface Area
41.3
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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