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Chemical ID: 4516034
Chemical ID:
4516034
Name [?]:
2-(4-amino-3-chloro-phenyl)-4-chloro-1H-benzoimidazol-5-amine
SMILES [?]:
c1cc(c(cc1c2[nH]c3ccc(c(c3n2)Cl)N)Cl)N
InChi [?]:
InChI=1/C13H10Cl2N4/c14-7-5-6(1-2-8(7)16)13-18-10-4-3-9(17)11(15)12(10)19-13/h1-5H,16-17H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,11,10,5,6,4,3,12,9,13,14,7,18,16,19,17,8,15/rA:19nCCCCCCCNCCCCCCNClNClN/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;d10;s11;d12;d9s13;d7s14;s13;s12;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H10Cl2N4 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.9812 |
Area: | 465.474 |
Solvation: | -1.65565 |
Coulombic: | -51.5815 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 293.151 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 2 |
XLogP: | 2.46 |
LogP (Chemaxon): | 3.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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