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Chemical ID: 7315357
Chemical ID:
7315357
Name [?]:
2-(3,4-dichlorophenoxy)-N-(methylcarbamoyl)propanamide
SMILES [?]:
CC(C(=O)NC(=O)NC)Oc1ccc(c(c1)Cl)Cl
InChi [?]:
InChI=1/C11H12Cl2N2O3/c1-6(10(16)15-11(17)14-2)18-7-3-4-8(12)9(13)5-7/h3-6H,1-2H3,(H2,14,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,9,12,13,16,2,11,14,15,3,6,18,17,8,5,4,7,10/rA:18cCCCONCONCOCCCCCCClCl/rB:s1;s2;d3;s3;s5;d6;s6;s8;s2;s10;s11;d12;s13;d14;d11s15;s15;s14;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12Cl2N2O3 |
All Atoms: | 30 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.53545 |
Area: | 476.2 |
Solvation: | -5.36956 |
Coulombic: | -49.2738 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 291.13 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.97 |
LogP (Chemaxon): | 2.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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