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Chemical ID: 7222150
Chemical ID:
7222150
Name [?]:
None
SMILES [?]:
CC(c1nc2c3ccccc3ncn2n1)n4cc(cn4)Cl
InChi [?]:
InChI=1/C14H11ClN6/c1-9(20-7-10(15)6-17-20)13-18-14-11-4-2-3-5-12(11)16-8-21(14)19-13/h2-9H,1H3
InChi Info:
AuxInfo=1/0/N:1,8,9,7,10,19,17,13,2,18,6,11,3,5,21,12,20,4,15,16,14/rA:21cCCCNCCCCCCCNCNNNCCCNCl/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;s11;d12;s5s13;d3s14;s2;s16;d17;s18;s16d19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11ClN6 |
All Atoms: | 32 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.64429 |
Area: | 481.789 |
Solvation: | -2.40042 |
Coulombic: | -22.6916 |
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: | 2.64 |
LogP (Chemaxon): | 3.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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