Molecule

ID:36933

General Information
Structure
Molecular Formula
C₁₁H₁₉N₃O
Molecular Mass
209.28806
Exact Mass
209.15281224
Charge
0
InChI
InChI=1S/C11H19N3O/c1-2-7-14-8-4-10(5-9-14)13-11(15)3-6-12/h10H,2-5,7-9H2,1H3,(H,13,15)
InChIKey
QSOBBXNLDMDIAQ-UHFFFAOYSA-N
Canonic Smiles
CCCN1CCC(CC1)NC(=O)CC#N
Isomeric Smiles
N1(CCC(CC1)NC(=O)CC#N)CCC
Calculated Properties
JChem
Acid pKa
10.244233
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.2141569
LogD (pH = 7.4)
-1.6914647
Log P
-0.23479111
Molar Refractivity
59.4097
Polarizability
22.84264
Polar Surface Area
56.13
Rotatable Bonds
4
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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