Chemical ID: 7436887

COc1ccc(cc1)c2cc-3n(n2)C(=O)c4c3cccc4
Chemical ID:
7436887
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)c2cc-3n(n2)C(=O)c4c3cccc4
InChi [?]:
InChI=1/C17H12N2O2/c1-21-12-8-6-11(7-9-12)15-10-16-13-4-2-3-5-14(13)17(20)19(16)18-15/h2-10H,1H3
InChi Info:
AuxInfo=1/0/N:1,19,20,18,21,5,7,4,8,10,6,3,17,16,9,11,14,13,12,15,2/E:(6,7)(8,9)/rA:21nCOCCCCCCCCCNNCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d9s12;s12;d14;s14;s11s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12N2O2
All Atoms:33
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.87134
Area:466.335
Solvation:-3.78704
Coulombic:-24.0357
Bond Count [?]
All:24
Single:15
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:276.289
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.78
LogP (Chemaxon):2.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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