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Chemical ID: 7662150
Chemical ID:
7662150
Name [?]:
None
SMILES [?]:
c1ccc(c(c1)C(=O)NCC(=O)NCC(=O)NN=Cc2cccc(c2)[N+](=O)[O-])Cl
InChi [?]:
InChI=1/C18H16ClN5O5/c19-15-7-2-1-6-14(15)18(27)21-10-16(25)20-11-17(26)23-22-9-12-4-3-5-13(8-12)24(28)29/h1-9H,10-11H2,(H,20,25)(H,21,27)(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,2,22,21,23,6,3,25,19,10,14,20,24,5,4,11,15,7,29,13,9,18,17,26,12,16,8,27,28/E:(28,29)/CRV:24.5/rA:29nCCCCCCCONCCONCCONNCCCCCCCN+OO-Cl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s11;s13;s14;d15;s15;s17;w18;s19;s20;d21;s22;d23;d20s24;s24;d26;s26;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16ClN5O5 |
All Atoms: | 45 |
Heavy Atoms: | 29 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 5.64647 |
Area: | 663.183 |
Solvation: | -10.9331 |
Coulombic: | -72.3066 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 11 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.73 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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