Chemical ID: 7729484

Cc1ccc(cc1Cl)n2c3c(c(=O)n(cn3)CC(=O)NCCOC)nn2
Chemical ID:
7729484
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1Cl)n2c3c(c(=O)n(cn3)CC(=O)NCCOC)nn2
InChi [?]:
InChI=1/C16H17ClN6O3/c1-10-3-4-11(7-12(10)17)23-15-14(20-21-23)16(25)22(9-19-15)8-13(24)18-5-6-26-2/h3-4,7,9H,5-6,8H2,1-2H3,(H,18,24)
InChi Info:
AuxInfo=1/1/N:1,24,3,4,21,22,6,17,15,2,5,7,18,11,10,12,8,20,16,25,26,14,9,19,13,23/rA:26nCCCCCCCClNCCCONCNCCONCCOCNN/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s11;d12;s12;s14;s10d15;s14;s17;d18;s18;s20;s21;s22;s23;s11;s9d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17ClN6O3
All Atoms:43
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:9.66996
Area:593.985
Solvation:-5.17967
Coulombic:-55.6733
Bond Count [?]
All:28
Single:20
Double:8
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:0.3
LogP (Chemaxon):None

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Descriptor Annotations

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