Molecule

ID:118412

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂O
Molecular Mass
232.3214
Exact Mass
232.15756327
Charge
0
InChI
InChI=1S/C14H20N2O/c1-10(2)7-8-16-13-5-4-12(15)9-11(13)3-6-14(16)17/h4-5,9-10H,3,6-8,15H2,1-2H3
InChIKey
RBVQUOCYRUOZST-UHFFFAOYSA-N
Canonic Smiles
CC(CCN1C(=O)CCc2c1ccc(c2)N)C
Isomeric Smiles
N1(c2c(cc(cc2)N)CCC1=O)CCC(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1509273
LogD (pH = 7.4)
2.162527
Log P
2.162677
Molar Refractivity
70.4244
Polarizability
26.666056
Polar Surface Area
46.33
Rotatable Bonds
3
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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