Chemical ID: 4907327

COc1ccc-2c(c1)CCc3c2onc3
Chemical ID:
4907327
Name [?]:
None
SMILES [?]:
COc1ccc-2c(c1)CCc3c2onc3
InChi [?]:
InChI=1/C12H11NO2/c1-14-10-4-5-11-8(6-10)2-3-9-7-13-15-12(9)11/h4-7H,2-3H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,10,4,5,8,15,7,11,3,6,12,14,2,13/rA:15nCOCCCCCCCCCCONC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s6d11;s12;s13;s11d14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11NO2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:5.69139
Area:356.929
Solvation:-3.23183
Coulombic:-10.8769
Bond Count [?]
All:17
Single:12
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:201.221
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.64
LogP (Chemaxon):2.18

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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