Chemical ID: 7657165

COc1ccc(cc1)NC(=O)c2ccccn2
Chemical ID:
7657165
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)NC(=O)c2ccccn2
InChi [?]:
InChI=1/C13H12N2O2/c1-17-11-7-5-10(6-8-11)15-13(16)12-4-2-3-9-14-12/h2-9H,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,14,15,13,5,7,4,8,16,6,3,12,10,17,9,11,2/E:(5,6)(7,8)/rA:17nCOCCCCCCNCOCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12N2O2
All Atoms:29
Heavy Atoms:17
Chiral Atoms:None
ZAP Information [?]
Total:7.26422
Area:413.884
Solvation:-3.08288
Coulombic:-35.234
Bond Count [?]
All:18
Single:11
Double:7
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.74
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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