Chemical ID: 7445106

Cc1cccc(c1)N=c2[nH]c(nc(n2)N)CCl
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

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Descriptor Annotations

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