Chemical ID: 6497984

Cc1c(c2ccccc2o1)C#N
Chemical ID:
6497984
Name [?]:
2-methylbenzofuran-3-carbonitrile
SMILES [?]:
Cc1c(c2ccccc2o1)C#N
InChi [?]:
InChI=1/C10H7NO/c1-7-9(6-11)8-4-2-3-5-10(8)12-7/h2-5H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,7,5,8,11,2,4,3,9,12,10/rA:12nCCCCCCCCCOCN/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s3;t11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H7NO
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.54669
Area:324.254
Solvation:-1.55966
Coulombic:-11.4803
Bond Count [?]
All:13
Single:8
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:157.169
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.94
LogP (Chemaxon):2.45

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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