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Chemical ID: 7657165
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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