Chemical ID: 4562852

COC(=O)c1cc2c3ccccc3[nH]c2c(n1)c4cccnc4
Chemical ID:
4562852
Name [?]:
None
SMILES [?]:
COC(=O)c1cc2c3ccccc3[nH]c2c(n1)c4cccnc4
InChi [?]:
InChI=1/C18H13N3O2/c1-23-18(22)15-9-13-12-6-2-3-7-14(12)20-17(13)16(21-15)11-5-4-8-19-10-11/h2-10,20H,1H3
InChi Info:
AuxInfo=1/0/N:1,10,11,20,19,9,12,21,6,23,18,8,7,13,5,16,15,3,22,14,17,4,2/rA:23nCOCOCCCCCCCCCNCCNCCCCNC/rB:s1;s2;d3;s3;s5;d6;s7;s8;d9;s10;d11;d8s12;s13;s7s14;d15;d5s16;s16;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13N3O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.54221
Area:496.086
Solvation:-2.85994
Coulombic:-42.8559
Bond Count [?]
All:26
Single:16
Double:10
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:303.315
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.08
LogP (Chemaxon):3.25

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Descriptor Annotations

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