Chemical ID: 5276290

c1ccc(cc1)n2c3c(cn2)c4nc(nn4cn3)c5ccc(cc5O)O
Chemical ID:
5276290
Name [?]:
None
SMILES [?]:
c1ccc(cc1)n2c3c(cn2)c4nc(nn4cn3)c5ccc(cc5O)O
InChi [?]:
InChI=1/C18H12N6O2/c25-12-6-7-13(15(26)8-12)16-21-18-14-9-20-24(11-4-2-1-3-5-11)17(14)19-10-23(18)22-16/h1-10,25-26H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,21,20,23,10,17,4,22,19,9,24,14,8,12,18,11,13,15,16,7,26,25/E:(2,3)(4,5)/rA:26nCCCCCCNCCCNCNCNNCNCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s7d10;s9;d12;s13;d14;s12s15;s16;s8d17;s14;s19;d20;s21;d22;d19s23;s24;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H12N6O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.15987
Area:531.051
Solvation:-4.1164
Coulombic:-54.6206
Bond Count [?]
All:30
Single:19
Double:11
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:344.327
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:2.65
LogP (Chemaxon):3.36

Name Annotations

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Descriptor Annotations

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