Chemical ID: 5280070

c1cc(ccc1n2c3c(cn2)c4nc(nn4cn3)C5CCCCC5)F
Chemical ID:
5280070
Name [?]:
None
SMILES [?]:
c1cc(ccc1n2c3c(cn2)c4nc(nn4cn3)C5CCCCC5)F
InChi [?]:
InChI=1/C18H17FN6/c19-13-6-8-14(9-7-13)25-17-15(10-21-25)18-22-16(23-24(18)11-20-17)12-4-2-1-3-5-12/h6-12H,1-5H2
InChi Info:
AuxInfo=1/0/N:22,21,23,20,24,2,4,1,5,10,17,19,3,6,9,14,8,12,25,18,11,13,15,16,7/E:(2,3)(4,5)(6,7)(8,9)/rA:25nCCCCCCNCCCNCNCNNCNCCCCCCF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;s7d10;s9;d12;s13;d14;s12s15;s16;s8d17;s14;s19;s20;s21;s22;s19s23;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17FN6
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.2313
Area:518.919
Solvation:-2.74164
Coulombic:-26.4285
Bond Count [?]
All:29
Single:21
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:336.366
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.82
LogP (Chemaxon):4.83

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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