Chemical ID: 3991262

CCOC(=O)c1ccc(cc1)NC(=O)CC#N
Chemical ID:
3991262
Name [?]:
ethyl 4-(2-cyanoacetyl)aminobenzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)NC(=O)CC#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H12N2O3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.06828
Area:442.417
Solvation:-3.99214
Coulombic:-40.64
Bond Count [?]
All:17
Single:11
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:232.235
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.96
LogP (Chemaxon):1.46

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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