Molecule

ID:77425

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₅N₃O
Molecular Mass
299.4106
Exact Mass
299.19976244
Charge
0
InChI
InChI=1S/C18H25N3O/c1-12-2-4-15(5-3-12)17-7-13-6-14(8-17)10-18(9-13,11-17)20-16(22)21-19/h2-5,13-14H,6-11,19H2,1H3,(H2,20,21,22)/t13?,14?,17-,18-
InChIKey
LNBAWWJKTKKANZ-JCZKHZJWSA-N
Canonic Smiles
NNC(=O)N[C@]12C[C@@H]3C[C@H](C1)C[C@@](C2)(C3)c1ccc(cc1)C
Isomeric Smiles
[C@H]12C[C@@H]3C[C@](C1)(C[C@](C3)(C2)c1ccc(cc1)C)NC(=O)NN
Calculated Properties
JChem
Acid pKa
12.865018
H Acceptors
2
H Donor
3
LogD (pH = 5.5)
2.6004043
LogD (pH = 7.4)
2.6020234
Log P
2.6020453
Molar Refractivity
87.7515
Polarizability
33.933002
Polar Surface Area
67.15
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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