Chemical ID: 5753823

c1ccc2c(c1)cc(o2)C#N
Chemical ID:
5753823
Name [?]:
benzofuran-2-carbonitrile
SMILES [?]:
c1ccc2c(c1)cc(o2)C#N
InChi [?]:
InChI=1/C9H5NO/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,7,10,5,8,4,11,9/rA:11nCCCCCCCCOCN/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;t10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H5NO
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.07803
Area:305.157
Solvation:-1.5509
Coulombic:-13.0992
Bond Count [?]
All:12
Single:7
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:143.142
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.8
LogP (Chemaxon):2.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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