Molecule

ID:18974

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈N₂
Molecular Mass
178.27402
Exact Mass
178.14699859
Charge
0
InChI
InChI=1S/C11H18N2/c1-13(2)9-8-11(12)10-6-4-3-5-7-10/h3-7,11H,8-9,12H2,1-2H3
InChIKey
HSZKVKCMQAORSG-UHFFFAOYSA-N
Canonic Smiles
NC(c1ccccc1)CCN(C)C
Isomeric Smiles
C(C(c1ccccc1)N)CN(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.4626966
LogD (pH = 7.4)
-2.0063162
Log P
1.2373856
Molar Refractivity
57.0861
Polarizability
22.650402
Polar Surface Area
29.26
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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