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Chemical ID: 7686468
Chemical ID:
7686468
Name [?]:
None
SMILES [?]:
CCCCn1c2c(c(n1)C)c(cc(n2)C)C(=O)Nc3ncn(n3)Cc4ccccc4F
InChi [?]:
InChI=1/C22H24FN7O/c1-4-5-10-30-20-19(15(3)27-30)17(11-14(2)25-20)21(31)26-22-24-13-29(28-22)12-16-8-6-7-9-18(16)23/h6-9,11,13H,4-5,10,12H2,1-3H3,(H,26,28,31)
InChi Info:
AuxInfo=1/1/N:1,15,10,2,3,27,28,26,29,4,12,24,21,13,8,25,11,30,7,6,16,19,31,20,14,18,9,23,22,5,17/rA:31nCCCCNCCCNCCCCNCCONCNCNNCCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s7;s5d8;s8;d7;s11;d12;d6s13;s13;s11;d16;s16;s18;s19;d20;s21;d19s22;s22;s24;s25;d26;s27;d28;d25s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24FN7O |
All Atoms: | 55 |
Heavy Atoms: | 31 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.4169 |
Area: | 660.987 |
Solvation: | -5.10781 |
Coulombic: | -46.0426 |
Bond Count [?]
All: | 34 |
Single: | 24 |
Double: | 10 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.28 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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