Chemical ID: 7706751

COc1cccc(c1)N=Nc2c3[nH]c4c(c(=O)n3[nH]c2=O)CCC4
Chemical ID:
7706751
Name [?]:
None
SMILES [?]:
COc1cccc(c1)N=Nc2c3[nH]c4c(c(=O)n3[nH]c2=O)CCC4
InChi [?]:
InChI=1/C16H15N5O3/c1-24-10-5-2-4-9(8-10)18-19-13-14-17-12-7-3-6-11(12)16(23)21(14)20-15(13)22/h2,4-5,8,17H,3,6-7H2,1H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,5,23,6,4,22,24,8,7,3,15,14,11,12,20,16,13,9,10,19,18,21,17,2/rA:24nCOCCCCCCNNCCNCCCONNCOCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;d11;s12;s13;d14;s15;d16;s12s16;s18;s11s19;d20;s15;s22;s14s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15N5O3
All Atoms:39
Heavy Atoms:24
Chiral Atoms:None
ZAP Information [?]
Total:9.24142
Area:517.154
Solvation:-3.68742
Coulombic:-55.5356
Bond Count [?]
All:27
Single:19
Double:8
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.36
LogP (Chemaxon):None

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue