Chemical ID: 5278810

COc1ccc(cc1)c2nc3c4cnn(c4ncn3n2)c5ccc(cc5)Cl
Chemical ID:
5278810
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)c2nc3c4cnn(c4ncn3n2)c5ccc(cc5)Cl
InChi [?]:
InChI=1/C19H13ClN6O/c1-27-15-8-2-12(3-9-15)17-23-19-16-10-22-26(14-6-4-13(20)5-7-14)18(16)21-11-25(19)24-17/h2-11H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,7,23,25,22,26,4,8,13,18,6,24,21,3,12,9,16,11,27,17,14,10,20,19,15,2/E:(2,3)(4,5)(6,7)(8,9)/rA:27nCOCCCCCCCNCCCNNCNCNNCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;s12;d13;s14;d12s15;s16;d17;s11s18;d9s19;s15;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H13ClN6O
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.0745
Area:580.699
Solvation:-3.44292
Coulombic:-31.2222
Bond Count [?]
All:31
Single:20
Double:11
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:376.799
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.99
LogP (Chemaxon):4.2

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Descriptor Annotations

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