Molecule

ID:18733

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀N₂
Molecular Mass
252.3541
Exact Mass
252.16264865
Charge
0
InChI
InChI=1S/C17H20N2/c1-3-7-15(8-4-1)17(16-9-5-2-6-10-16)19-13-11-18-12-14-19/h1-10,17-18H,11-14H2
InChIKey
NWVNXDKZIQLBNM-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)C(c1ccccc1)c1ccccc1
Isomeric Smiles
N1(C(c2ccccc2)c2ccccc2)CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.11444532
LogD (pH = 7.4)
1.2402861
Log P
3.1629543
Molar Refractivity
79.6389
Polarizability
31.544624
Polar Surface Area
15.27
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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