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Chemical ID: 7221547
Chemical ID:
7221547
Name [?]:
None
SMILES [?]:
CCn1cc(c(n1)c2nc3c4ccccc4ncn3n2)Cl
InChi [?]:
InChI=1/C14H11ClN6/c1-2-20-7-10(15)12(18-20)13-17-14-9-5-3-4-6-11(9)16-8-21(14)19-13/h3-8H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,13,14,12,15,4,18,11,5,16,6,8,10,21,17,9,7,20,3,19/rA:21nCCNCCCNCNCCCCCCCNCNNCl/rB:s1;s2;s3;d4;s5;s3d6;s6;s8;d9;s10;s11;d12;s13;d14;d11s15;s16;d17;s10s18;d8s19;s5;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11ClN6 |
All Atoms: | 32 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.87982 |
Area: | 476.776 |
Solvation: | -2.03959 |
Coulombic: | -23.8689 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 298.73 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.68 |
LogP (Chemaxon): | 3.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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