Chemical ID: 7729413

COc1ccc(cc1)C(=O)Cn2cnc3c(c2=O)nnn3c4cccc(c4)F
Chemical ID:
7729413
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)C(=O)Cn2cnc3c(c2=O)nnn3c4cccc(c4)F
InChi [?]:
InChI=1/C19H14FN5O3/c1-28-15-7-5-12(6-8-15)16(26)10-24-11-21-18-17(19(24)27)22-23-25(18)14-4-2-3-13(20)9-14/h2-9,11H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,24,25,23,5,7,4,8,27,11,13,6,26,22,3,9,16,15,17,28,14,19,20,12,21,10,18,2/E:(5,6)(7,8)/rA:28nCOCCCCCCCOCNCNCCCONNNCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;s12s16;d17;s16;d19;s15s20;s21;s22;d23;s24;d25;d22s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H14FN5O3
All Atoms:42
Heavy Atoms:28
Chiral Atoms:None
ZAP Information [?]
Total:8.47945
Area:574.876
Solvation:-5.89246
Coulombic:-46.1726
Bond Count [?]
All:31
Single:20
Double:11
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.87
LogP (Chemaxon):None

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Descriptor Annotations

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