Molecule

ID:12685

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O
Molecular Mass
192.25754
Exact Mass
192.12626314
Charge
0
InChI
InChI=1S/C11H16N2O/c1-2-14-10-9-12-8-6-11-5-3-4-7-13-11/h2-5,7,12H,1,6,8-10H2
InChIKey
ZEGNVUVSGCGHFD-UHFFFAOYSA-N
Canonic Smiles
C=COCCNCCc1ccccn1
Isomeric Smiles
c1cnc(cc1)CCNCCOC=C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.0360217
LogD (pH = 7.4)
-0.7115338
Log P
1.0901058
Molar Refractivity
56.062
Polarizability
22.385748
Polar Surface Area
34.15
Rotatable Bonds
7
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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