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Chemical ID: 4367455
Chemical ID:
4367455
Name [?]:
2,3-dichloro-N-(2-chlorophenyl)-benzamide
SMILES [?]:
c1ccc(c(c1)NC(=O)c2cccc(c2Cl)Cl)Cl
InChi [?]:
InChI=1/C13H8Cl3NO/c14-9-5-1-2-7-11(9)17-13(18)8-4-3-6-10(15)12(8)16/h1-7H,(H,17,18)
InChi Info:
AuxInfo=1/1/N:2,1,12,11,3,13,6,10,4,14,5,15,8,18,17,16,7,9/rA:18nCCCCCCNCOCCCCCCClClCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s14;s4;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H8Cl3NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.56275 |
Area: | 455.598 |
Solvation: | -1.8272 |
Coulombic: | -24.0988 |
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): | 4.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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