Chemical ID: 7221676

Cc1c(cn(n1)Cc2nc3c4ccccc4ncn3n2)Cl
Chemical ID:
7221676
Name [?]:
None
SMILES [?]:
Cc1c(cn(n1)Cc2nc3c4ccccc4ncn3n2)Cl
InChi [?]:
InChI=1/C14H11ClN6/c1-9-11(15)6-20(18-9)7-13-17-14-10-4-2-3-5-12(10)16-8-21(14)19-13/h2-6,8H,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,14,12,15,4,7,18,2,11,3,16,8,10,21,17,9,6,20,5,19/rA:21nCCCCNNCCNCCCCCCCNCNNCl/rB:s1;s2;d3;s4;d2s5;s5;s7;s8;d9;s10;s11;d12;s13;d14;d11s15;s16;d17;s10s18;d8s19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11ClN6
All Atoms:32
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.39869
Area:483.177
Solvation:-2.68073
Coulombic:-21.9256
Bond Count [?]
All:24
Single:16
Double:8
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:298.73
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.26
LogP (Chemaxon):3.15

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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