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Chemical ID: 6381226
Chemical ID:
6381226
Name [?]:
N-[(3-chlorophenyl)methyleneamino]-2-(2,4-dichlorophenoxy)-propanamide
SMILES [?]:
CC(C(=O)NN=Cc1cccc(c1)Cl)Oc2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C16H13Cl3N2O2/c1-10(23-15-6-5-13(18)8-14(15)19)16(22)21-20-9-11-3-2-4-12(17)7-11/h2-10H,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,10,9,11,18,17,13,20,7,2,8,12,19,21,16,3,14,23,22,6,5,4,15/rA:23cCCCONNCCCCCCCClOCCCCCCClCl/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s12;s2;s15;s16;d17;s18;d19;d16s20;s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13Cl3N2O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.14326 |
Area: | 579.615 |
Solvation: | -5.34713 |
Coulombic: | -27.5928 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 371.645 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 6.07 |
LogP (Chemaxon): | 5.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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