Chemical ID: 7678482

Cc1cccc(c1)Cn2cnc3c(c2=O)nnn3c4ccc(cc4)F
Chemical ID:
7678482
Name [?]:
None
SMILES [?]:
Cc1cccc(c1)Cn2cnc3c(c2=O)nnn3c4ccc(cc4)F
InChi [?]:
InChI=1/C18H14FN5O/c1-12-3-2-4-13(9-12)10-23-11-20-17-16(18(23)25)21-22-24(17)15-7-5-14(19)6-8-15/h2-9,11H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,3,5,21,23,20,24,7,8,10,2,6,22,19,13,12,14,25,11,16,17,9,18,15/E:(5,6)(7,8)/rA:25nCCCCCCCCNCNCCCONNNCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s11;d12;s9s13;d14;s13;d16;s12s17;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14FN5O
All Atoms:39
Heavy Atoms:25
Chiral Atoms:None
ZAP Information [?]
Total:9.80587
Area:519.503
Solvation:-3.18169
Coulombic:-33.0905
Bond Count [?]
All:28
Single:18
Double:10
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.78
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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