Molecule

ID:47869

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O
Molecular Mass
192.25754
Exact Mass
192.12626314
Charge
0
InChI
InChI=1S/C11H16N2O/c1-8-6-9(2-3-11(8)12)13-5-4-10(14)7-13/h2-3,6,10,14H,4-5,7,12H2,1H3
InChIKey
KAQHBFSHYDWZHI-UHFFFAOYSA-N
Canonic Smiles
OC1CCN(C1)c1ccc(c(c1)C)N
Isomeric Smiles
N1(c2cc(c(cc2)N)C)CC(CC1)O
Calculated Properties
JChem
Acid pKa
14.832624
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.5801169
LogD (pH = 7.4)
1.0141859
Log P
1.023885
Molar Refractivity
59.0871
Polarizability
21.626404
Polar Surface Area
49.49
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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