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Chemical ID: 7678153
Chemical ID:
7678153
Name [?]:
None
SMILES [?]:
CN(c1cc(c(cc1[N+](=O)[O-])C#N)C#N)C2CCCCC2
InChi [?]:
InChI=1/C15H16N4O2/c1-18(13-5-3-2-4-6-13)14-7-11(9-16)12(10-17)8-15(14)19(20)21/h7-8,13H,2-6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,19,18,20,17,21,4,7,14,12,5,6,16,3,8,15,13,2,9,10,11/E:(3,4)(5,6)(20,21)/CRV:19.5/rA:21cCNCCCCCCN+OO-CNCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s6;t12;s5;t14;s2;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16N4O2 |
All Atoms: | 37 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 2.38376 |
Area: | 477.147 |
Solvation: | -9.54491 |
Coulombic: | -20.1337 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 4 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.27 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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