Chemical ID: 5510270

Cc1cc(cc(c1)C(=O)NCC(=O)OC(C)C#N)C
Chemical ID:
5510270
Name [?]:
1-cyanoethyl 2-(3,5-dimethylbenzoyl)aminoacetate
SMILES [?]:
Cc1cc(cc(c1)C(=O)NCC(=O)OC(C)C#N)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H16N2O3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:9.59579
Area:492.869
Solvation:-2.72593
Coulombic:-44.7733
Bond Count [?]
All:19
Single:13
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:260.289
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.02
LogP (Chemaxon):1.87

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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