Chemical ID: 3967982

c1c(cc(c(c1Cl)N=C2NCCN2)Cl)I
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

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Descriptor Annotations

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