Chemical ID: 7165972

c1ccc(cc1)n2c3c(cn2)c4nc(nn4cn3)c5ccccc5OC(F)F
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

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