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Chemical ID: 4200748
Chemical ID:
4200748
Name [?]:
2,3-dichloro-N-(3-chlorophenyl)-benzamide
SMILES [?]:
c1cc(cc(c1)Cl)NC(=O)c2cccc(c2Cl)Cl
InChi [?]:
InChI=1/C13H8Cl3NO/c14-8-3-1-4-9(7-8)17-13(18)10-5-2-6-11(15)12(10)16/h1-7H,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,13,6,2,12,14,4,5,3,11,15,16,9,7,18,17,8,10/rA:18nCCCCCCClNCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H8Cl3NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.42501 |
Area: | 463.246 |
Solvation: | -2.15613 |
Coulombic: | -23.2933 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 300.567 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.86 |
LogP (Chemaxon): | 4.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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