Molecule

ID:4432

General Information
Structure
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Molecular Formula
C₁₆H₂₄N₂
Molecular Mass
244.37516
Exact Mass
244.19394878
Charge
0
InChI
InChI=1S/C16H24N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9H,6-7,10H2,1-5H3,(H,17,18)
InChIKey
HUCJFAOMUPXHDK-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C
Isomeric Smiles
Cc1cc(cc(C)c1CC1=NCCN1)C(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3619118
LogD (pH = 7.4)
1.48564
Log P
3.7755392
Molar Refractivity
77.8176
Polarizability
29.674038
Polar Surface Area
24.39
Rotatable Bonds
3
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
4.68
LOG S
-4.44
Solubility (Water)
8.93e-03 g/l
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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