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Chemical ID: 7729433
Chemical ID:
7729433
Name [?]:
None
SMILES [?]:
c1cc(ccc1n2c3c(c(=O)n(cn3)CCN4CCCCC4)nn2)Br
InChi [?]:
InChI=1/C17H19BrN6O/c18-13-4-6-14(7-5-13)24-16-15(20-21-24)17(25)23(12-19-16)11-10-22-8-2-1-3-9-22/h4-7,12H,1-3,8-11H2
InChi Info:
AuxInfo=1/0/N:20,19,21,2,4,1,5,18,22,16,15,13,3,6,9,8,10,25,14,23,24,17,12,7,11/E:(2,3)(4,5)(6,7)(8,9)/rA:25nCCCCCCNCCCONCNCCNCCCCCNNBr/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d10;s10;s12;s8d13;s12;s15;s16;s17;s18;s19;s20;s17s21;s9;s7d23;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19BrN6O |
All Atoms: | 44 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.6697 |
Area: | 556.396 |
Solvation: | -2.24016 |
Coulombic: | -33.9129 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.98 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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