Molecule

ID:33560

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆N₂O
Molecular Mass
168.23614
Exact Mass
168.12626314
Charge
0
InChI
InChI=1S/C9H16N2O/c1-7-4-5-9(12-7)8(6-10)11(2)3/h4-5,8H,6,10H2,1-3H3
InChIKey
KELHQGOVULCJSG-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccc(o1)C)N(C)C
Isomeric Smiles
c1(oc(cc1)C)C(N(C)C)CN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.0731933
LogD (pH = 7.4)
-0.99822485
Log P
0.4372338
Molar Refractivity
49.7613
Polarizability
19.372492
Polar Surface Area
42.4
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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