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Chemical ID: 7445106
Chemical ID:
7445106
Name [?]:
4-(chloromethyl)-6-(m-tolylimino)-5H-1,3,5-triazin-2-amine
SMILES [?]:
Cc1cccc(c1)N=c2[nH]c(nc(n2)N)CCl
InChi [?]:
InChI=1/C11H12ClN5/c1-7-3-2-4-8(5-7)14-11-16-9(6-12)15-10(13)17-11/h2-5H,6H2,1H3,(H3,13,14,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,7,16,2,6,11,13,9,17,15,8,12,10,14/rA:17nCCCCCCCNCNCNCNNCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s12;s9d13;s13;s11;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12ClN5 |
All Atoms: | 29 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.04868 |
Area: | 437.742 |
Solvation: | -1.89487 |
Coulombic: | -47.0409 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 249.699 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 1.21 |
LogP (Chemaxon): | 3.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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