Molecule
ID:119425
General Information
Molecular Formula
C₁₄H₂₀ClN₃O₂
Molecular Mass
297.7805
Exact Mass
297.12440458
Charge
0
InChI
InChI=1S/C14H19N3O2.ClH/c1-9(15)14(19)16-6-10-5-11(8-16)12-3-2-4-13(18)17(12)7-10;/h2-4,9-11H,5-8,15H2,1H3;1H/t9-,10?,11?;/m0./s1
InChIKey
GSSZCDLWMSVSOQ-IGUXDCQPSA-N
Canonic Smiles
O=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)[C@@H](N)C.Cl
Isomeric Smiles
n12c([C@@H]3CN(C(=O)[C@@H](N)C)C[C@H](C2)C3)cccc1=O.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.6754043
LogD (pH = 7.4)
-2.045833
Log P
-1.0252769
Molar Refractivity
74.3478
Polarizability
27.800093
Polar Surface Area
66.64
Rotatable Bonds
1
Lipinski's Rule of Five
true
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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