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Chemical ID: 7379986
Chemical ID:
7379986
Name [?]:
None
SMILES [?]:
Cc1ccccc1N2CCn3c2nc4c3c(=O)n(c(=O)n4C)Cc5ccc(cc5)F
InChi [?]:
InChI=1/C22H20FN5O2/c1-14-5-3-4-6-17(14)26-11-12-27-18-19(24-21(26)27)25(2)22(30)28(20(18)29)13-15-7-9-16(23)10-8-15/h3-10H,11-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,4,5,3,6,25,29,26,28,9,10,23,2,24,27,7,15,14,16,12,19,30,13,21,8,11,18,17,20/E:(7,8)(9,10)/rA:30nCCCCCCCNCCNCNCCCONCONCCCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s8s11;d12;s13;s11d14;s15;d16;s16;s18;d19;s14s19;s21;s18;s23;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H20FN5O2 |
All Atoms: | 50 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4156 |
Area: | 589.834 |
Solvation: | -3.33021 |
Coulombic: | -60.7734 |
Bond Count [?]
All: | 34 |
Single: | 24 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 405.425 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.78 |
LogP (Chemaxon): | 5.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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