Molecule
ID:119672
General Information
Molecular Formula
C₂₅H₃₉N₃O₃
Molecular Mass
429.59546
Exact Mass
429.29914212
Charge
0
InChI
InChI=1S/C25H39N3O3/c1-3-4-5-6-7-8-9-10-11-14-17-26-25(30)28-23(24(29)31-2)18-20-19-27-22-16-13-12-15-21(20)22/h12-13,15-16,19,23,27H,3-11,14,17-18H2,1-2H3,(H2,26,28,30)/t23-/m0/s1
InChIKey
RKWHXWYFZGCTMG-QHCPKHFHSA-N
Canonic Smiles
CCCCCCCCCCCCNC(=O)N[C@H](C(=O)OC)Cc1c[nH]c2c1cccc2
Isomeric Smiles
c1(c[nH]c2c1cccc2)C[C@H](NC(=O)NCCCCCCCCCCCC)C(=O)OC
Calculated Properties
JChem
Acid pKa
14.921758
H Acceptors
2
H Donor
3
LogD (pH = 5.5)
5.9116964
LogD (pH = 7.4)
5.9116964
Log P
5.9116964
Molar Refractivity
124.6707
Polarizability
49.95451
Polar Surface Area
83.22
Rotatable Bonds
16
Lipinski's Rule of Five
false
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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