Chemical ID: 7678713

c1ccc(cc1)CNC(=O)Cn2cnc3c(c2=O)nnn3c4cccc(c4)Cl
Chemical ID:
7678713
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CNC(=O)Cn2cnc3c(c2=O)nnn3c4cccc(c4)Cl
InChi [?]:
InChI=1/C19H15ClN6O2/c20-14-7-4-8-15(9-14)26-18-17(23-24-26)19(28)25(12-22-18)11-16(27)21-10-13-5-2-1-3-6-13/h1-9,12H,10-11H2,(H,21,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,24,3,5,25,23,27,7,11,13,4,26,22,9,16,15,17,28,8,14,19,20,12,21,10,18/E:(2,3)(5,6)/rA:28nCCCCCCCNCOCNCNCCCONNNCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;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:C19H15ClN6O2
All Atoms:43
Heavy Atoms:28
Chiral Atoms:None
ZAP Information [?]
Total:11.6183
Area:617.066
Solvation:-3.80833
Coulombic:-50.3261
Bond Count [?]
All:31
Single:20
Double:11
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.97
LogP (Chemaxon):None

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Descriptor Annotations

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