Chemical ID: 6124371

CN(C)c1ccc2c(c1)nc3c(n2)C(=O)c4ccccc4C3=O
Chemical ID:
6124371
Name [?]:
None
SMILES [?]:
CN(C)c1ccc2c(c1)nc3c(n2)C(=O)c4ccccc4C3=O
InChi [?]:
InChI=1/C18H13N3O2/c1-21(2)10-7-8-13-14(9-10)20-16-15(19-13)17(22)11-5-3-4-6-12(11)18(16)23/h3-9H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,18,19,17,20,5,6,9,4,16,21,7,8,12,11,14,22,13,10,2,15,23/E:(1,2)/rA:23nCNCCCCCCCNCCNCOCCCCCCCO/rB:s1;s2;s2;s4;d5;s6;s7;d4s8;d8;s10;d11;d7s12;s12;d14;s14;s16;d17;s18;d19;d16s20;s11s21;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13N3O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.64053
Area:483.161
Solvation:-3.4385
Coulombic:-34.7476
Bond Count [?]
All:26
Single:16
Double:10
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:303.315
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.92
LogP (Chemaxon):2.68

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