Molecule

ID:4583

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₄N₄O₂
Molecular Mass
316.39806
Exact Mass
316.18992603
Charge
0
InChI
InChI=1S/C17H24N4O2/c1-2-4-15(22)21-10-3-5-14(21)17(23)20-11-12-6-8-13(9-7-12)16(18)19/h6-9,14H,2-5,10-11H2,1H3,(H3,18,19)(H,20,23)/t14-/m0/s1
InChIKey
RYAZZWWVNUWKNB-AWEZNQCLSA-N
Canonic Smiles
CCCC(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(=N)N
Isomeric Smiles
N1([C@H](C(=O)NCc2ccc(C(=N)N)cc2)CCC1)C(=O)CCC
Calculated Properties
JChem
Acid pKa
15.27138
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-1.6957619
LogD (pH = 7.4)
-1.686699
Log P
0.7195804
Molar Refractivity
99.8621
Polarizability
34.125908
Polar Surface Area
99.28
Rotatable Bonds
6
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
0.65
LOG S
-3.22
Solubility (Water)
1.91e-01 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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