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Chemical ID: 7680742
Chemical ID:
7680742
Name [?]:
None
SMILES [?]:
CCCCn1c2c(c(n1)C)c(cc(n2)C)C(=O)Nc3ccc(cc3F)Br
InChi [?]:
InChI=1/C19H20BrFN4O/c1-4-5-8-25-18-17(12(3)24-25)14(9-11(2)22-18)19(26)23-16-7-6-13(20)10-15(16)21/h6-7,9-10H,4-5,8H2,1-3H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,15,10,2,3,21,20,4,12,23,13,8,22,11,24,19,7,6,16,26,25,14,18,9,5,17/rA:26nCCCCNCCCNCCCCNCCONCCCCCCFBr/rB:s1;s2;s3;s4;s5;s6;s7;s5d8;s8;d7;s11;d12;d6s13;s13;s11;d16;s16;s18;s19;d20;s21;d22;d19s23;s24;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20BrFN4O |
All Atoms: | 46 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.5375 |
Area: | 583.7 |
Solvation: | -3.05503 |
Coulombic: | -35.6113 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.17 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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