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Chemical ID: 7691728
Chemical ID:
7691728
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c(c[nH]2)C(=O)C(=O)NCc3cccnc3
InChi [?]:
InChI=1/C16H13N3O2/c20-15(13-10-18-14-6-2-1-5-12(13)14)16(21)19-9-11-4-3-7-17-8-11/h1-8,10,18H,9H2,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,18,17,6,3,19,21,15,8,16,5,7,4,10,12,20,9,14,11,13/rA:21nCCCCCCCCNCOCONCCCCCNC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s7;d10;s10;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13N3O2 |
All Atoms: | 34 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.35522 |
Area: | 481.556 |
Solvation: | -2.68367 |
Coulombic: | -48.8443 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.57 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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