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Chemical ID: 7165972
Chemical ID:
7165972
Name [?]:
None
SMILES [?]:
c1ccc(cc1)n2c3c(cn2)c4nc(nn4cn3)c5ccccc5OC(F)F
InChi [?]:
InChI=1/C19H12F2N6O/c20-19(21)28-15-9-5-4-8-13(15)16-24-18-14-10-23-27(12-6-2-1-3-7-12)17(14)22-11-26(18)25-16/h1-11,19H
InChi Info:
AuxInfo=1/0/N:1,2,6,21,22,3,5,20,23,10,17,4,19,9,24,14,8,12,26,27,28,18,11,13,15,16,7,25/E:(2,3)(6,7)(20,21)/rA:28nCCCCCCNCCCNCNCNNCNCCCCCCOCFF/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s7d10;s9;d12;s13;d14;s12s15;s16;s8d17;s14;s19;d20;s21;d22;d19s23;s24;s25;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H12F2N6O |
All Atoms: | 40 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.6458 |
Area: | 545.235 |
Solvation: | -3.98507 |
Coulombic: | -43.5965 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 378.335 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.09 |
LogP (Chemaxon): | 4.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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