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Chemical ID: 7684068
Chemical ID:
7684068
Name [?]:
None
SMILES [?]:
c1ccc(cc1)c2nc(nn2c3ccc(cc3)Cl)C(=O)O
InChi [?]:
InChI=1/C15H10ClN3O2/c16-11-6-8-12(9-7-11)19-14(10-4-2-1-3-5-10)17-13(18-19)15(20)21/h1-9H,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,14,16,13,17,4,15,12,9,7,19,18,8,10,11,20,21/E:(2,3)(4,5)(6,7)(8,9)(20,21)/rA:21nCCCCCCCNCNNCCCCCCClCOO/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s11;s12;d13;s14;d15;d12s16;s15;s9;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10ClN3O2 |
All Atoms: | 31 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.99255 |
Area: | 479.951 |
Solvation: | -2.00622 |
Coulombic: | -44.5166 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.82 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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