Molecule

ID:119427

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄ClN₃O₂
Molecular Mass
325.83366
Exact Mass
325.1557047
Charge
0
InChI
InChI=1S/C16H23N3O2.ClH/c1-10(2)15(17)16(21)18-7-11-6-12(9-18)13-4-3-5-14(20)19(13)8-11;/h3-5,10-12,15H,6-9,17H2,1-2H3;1H/t11?,12?,15-;/m0./s1
InChIKey
INMLUSYDHZWWSK-JMPXZIPMSA-N
Canonic Smiles
CC([C@@H](C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)N)C.Cl
Isomeric Smiles
n12c([C@@H]3CN(C(=O)[C@@H](N)C(C)C)C[C@H](C2)C3)cccc1=O.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.857096
LogD (pH = 7.4)
-1.2724457
Log P
-0.13778171
Molar Refractivity
83.3434
Polarizability
31.476702
Polar Surface Area
66.64
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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