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Chemical ID: 4192807
Chemical ID:
4192807
Name [?]:
2,3-dichloro-N-(2-methoxyphenyl)-benzamide
SMILES [?]:
COc1ccccc1NC(=O)c2cccc(c2Cl)Cl
InChi [?]:
InChI=1/C14H11Cl2NO2/c1-19-12-8-3-2-7-11(12)17-14(18)9-5-4-6-10(15)13(9)16/h2-8H,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,6,5,14,13,15,7,4,12,16,8,3,17,10,19,18,9,11,2/rA:19nCOCCCCCCNCOCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11Cl2NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.61305 |
Area: | 461.303 |
Solvation: | -2.91953 |
Coulombic: | -30.8172 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 296.148 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.15 |
LogP (Chemaxon): | 3.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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