Chemical ID: 5270136

Cc1ccc(cc1C)n2c3c(cn2)c4nc(nn4cn3)c5ccco5
Chemical ID:
5270136
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1C)n2c3c(cn2)c4nc(nn4cn3)c5ccco5
InChi [?]:
InChI=1/C18H14N6O/c1-11-5-6-13(8-12(11)2)24-17-14(9-20-24)18-21-16(15-4-3-7-25-15)22-23(18)10-19-17/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,23,22,3,4,24,6,12,19,2,7,5,11,21,16,10,14,20,13,15,17,18,9,25/rA:25nCCCCCCCCNCCCNCNCNNCNCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s11;s9d12;s11;d14;s15;d16;s14s17;s18;s10d19;s16;d21;s22;d23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14N6O
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.1604
Area:529.454
Solvation:-3.07595
Coulombic:-30.4901
Bond Count [?]
All:29
Single:19
Double:10
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:330.344
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.03
LogP (Chemaxon):3.81

Name Annotations

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Descriptor Annotations

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