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Chemical ID: 7587426
Chemical ID:
7587426
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)cc3ccc4ccc(c5c4c3c2cc5)[N+](=O)[O-]
InChi [?]:
InChI=1/C20H11NO2/c22-21(23)18-10-7-12-5-6-14-11-13-3-1-2-4-15(13)16-8-9-17(18)19(12)20(14)16/h1-11H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,10,9,12,19,20,13,7,11,5,8,4,18,15,14,16,17,21,22,23/E:(22,23)/CRV:21.5/rA:23nCCCCCCCCCCCCCCCCCCCCN+OO-/rB:s1;d2;s3;s4;d1s5;d5;s7;s8;d9;s10;s11;d12;s13;d14;d11s15;d8s16;d4s17;s18;s15d19;s14;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H11NO2 |
All Atoms: | 34 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 4.99046 |
Area: | 456.805 |
Solvation: | -6.42966 |
Coulombic: | -15.2543 |
Bond Count [?]
All: | 27 |
Single: | 16 |
Double: | 11 |
Rotors: | 1 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 6.18 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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