Molecule

ID:183

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₇N₅
Molecular Mass
325.45118
Exact Mass
325.22664589
Charge
0
InChI
InChI=1S/C19H27N5/c1-16-6-2-3-7-17(16)23-14-12-22(13-15-23)11-9-19-21-20-18-8-4-5-10-24(18)19/h2-3,6-7H,4-5,8-15H2,1H3
InChIKey
RFWZESUMWJKKRN-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2
Isomeric Smiles
N1(CCN(CC1)c1c(cccc1)C)CCc1n2CCCCc2nn1
Calculated Properties
JChem
LogD (pH = 7.4)
1.98
LogD (pH = 5.5)
0.30
Log P
2.42
Rotatable Bonds
4
H Donor
0
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
7.64
Polar Surface Area
37.19
Polarizability
38.42
Molar Refractivity
100.22
LOG S
-1.88
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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