Chemical ID: 6176752

CC(=O)Nc1ccc(c(c1)C#N)OC
Chemical ID:
6176752
Name [?]:
N-(3-cyano-4-methoxy-phenyl)acetamide
SMILES [?]:
CC(=O)Nc1ccc(c(c1)C#N)OC
InChi [?]:
InChI=1/C10H10N2O2/c1-7(13)12-9-3-4-10(14-2)8(5-9)6-11/h3-5H,1-2H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,14,6,7,10,11,2,9,5,8,12,4,3,13/rA:14nCCONCCCCCCCNOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s9;t11;s8;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10N2O2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:5.55191
Area:370.692
Solvation:-3.7154
Coulombic:-28.924
Bond Count [?]
All:14
Single:9
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:190.199
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.91
LogP (Chemaxon):0.93

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Descriptor Annotations

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