Chemical ID: 4910365

CN1c2ccc(cc2-c3n[nH]c(=O)c(=O)n3CC1=O)Cl
Chemical ID:
4910365
Name [?]:
None
SMILES [?]:
CN1c2ccc(cc2-c3n[nH]c(=O)c(=O)n3CC1=O)Cl
InChi [?]:
InChI=1/C12H9ClN4O3/c1-16-8-3-2-6(13)4-7(8)10-14-15-11(19)12(20)17(10)5-9(16)18/h2-4H,5H2,1H3,(H,15,19)
InChi Info:
AuxInfo=1/1/N:1,5,4,7,17,6,8,3,18,9,12,14,20,10,11,2,16,19,13,15/rA:20nCNCCCCCCCNNCOCONCCOCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s10;s11;d12;s12;d14;s9s14;s16;s2s17;d18;s6;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H9ClN4O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.86128
Area:437.56
Solvation:-3.07772
Coulombic:-55.7977
Bond Count [?]
All:22
Single:15
Double:7
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:292.678
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:0.95
LogP (Chemaxon):0.23

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Descriptor Annotations

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