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Chemical ID: 5284800
Chemical ID:
5284800
Name [?]:
None
SMILES [?]:
c1cc(ccc1n2c3c(cn2)c4nc(nn4cn3)c5ccncc5)F
InChi [?]:
InChI=1/C17H10FN7/c18-12-1-3-13(4-2-12)25-16-14(9-21-25)17-22-15(23-24(17)10-20-16)11-5-7-19-8-6-11/h1-10H
InChi Info:
AuxInfo=1/0/N:2,4,1,5,20,24,21,23,10,17,19,3,6,9,14,8,12,25,22,18,11,13,15,16,7/E:(1,2)(3,4)(5,6)(7,8)/rA:25nCCCCCCNCCCNCNCNNCNCCCNCCF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;s7d10;s9;d12;s13;d14;s12s15;s16;s8d17;s14;s19;d20;s21;d22;d19s23;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H10FN7 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.16518 |
Area: | 508.18 |
Solvation: | -3.53932 |
Coulombic: | -30.3802 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 331.307 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.37 |
LogP (Chemaxon): | 2.76 |
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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