Molecule
ID:113136
General Information
Molecular Formula
C₁₇H₁₈N₂
Molecular Mass
250.33822
Exact Mass
250.14699859
Charge
0
InChI
InChI=1S/C17H18N2/c1-3-7-15-13(5-1)14-6-2-4-8-16(14)17(15)19-11-9-18-10-12-19/h1-8,17-18H,9-12H2
InChIKey
GIIZMBGIKACGIZ-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)C1c2ccccc2c2c1cccc2
Isomeric Smiles
C1(c2c(c3c1cccc3)cccc2)N1CCNCC1
Calculated Properties
JChem
Acid pKa
18.201885
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.4777305
LogD (pH = 7.4)
0.8800938
Log P
2.8369339
Molar Refractivity
78.7171
Polarizability
32.234615
Polar Surface Area
15.27
Rotatable Bonds
1
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
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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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