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Chemical ID: 3967982
Chemical ID:
3967982
Name [?]:
N-(2,6-dichloro-4-iodo-phenyl)imidazolidin-2-imine
SMILES [?]:
c1c(cc(c(c1Cl)N=C2NCCN2)Cl)I
InChi [?]:
InChI=1/C9H8Cl2IN3/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h3-4H,1-2H2,(H2,13,14,15)
InChi Info:
AuxInfo=1/1/N:11,12,1,3,2,6,4,5,9,7,14,15,10,13,8/E:(1,2)(3,4)(6,7)(10,11)(13,14)/rA:15nCCCCCCClNCNCCNClI/rB:s1;d2;s3;d4;d1s5;s6;s5;d8;s9;s10;s11;s9s12;s4;s2;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H8Cl2IN3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.91436 |
Area: | 426.776 |
Solvation: | -1.75505 |
Coulombic: | -29.5418 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 355.99 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.63 |
LogP (Chemaxon): | 4.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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