Chemical ID: 7221724

c1ccc2c(c1)c3nc(nn3cn2)Cn4cc(cn4)Cl
Chemical ID:
7221724
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3nc(nn3cn2)Cn4cc(cn4)Cl
InChi [?]:
InChI=1/C13H9ClN6/c14-9-5-16-19(6-9)7-12-17-13-10-3-1-2-4-11(10)15-8-20(13)18-12/h1-6,8H,7H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,18,16,14,12,17,5,4,9,7,20,13,19,8,10,15,11/rA:20nCCCCCCCNCNNCNCNCCCNCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s11;s4d12;s9;s14;s15;d16;s17;s15d18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H9ClN6
All Atoms:29
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.89816
Area:465.515
Solvation:-2.73972
Coulombic:-21.757
Bond Count [?]
All:23
Single:15
Double:8
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:284.704
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.11
LogP (Chemaxon):2.98

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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