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Chemical ID: 6390336
Chemical ID:
6390336
Name [?]:
N-(2,4-dichlorophenyl)benzo[1,3]dioxole-5-carboxamide
SMILES [?]:
c1cc2c(cc1C(=O)Nc3ccc(cc3Cl)Cl)OCO2
InChi [?]:
InChI=1/C14H9Cl2NO3/c15-9-2-3-11(10(16)6-9)17-14(18)8-1-4-12-13(5-8)20-7-19-12/h1-6H,7H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,12,11,2,5,14,19,6,13,15,10,3,4,7,17,16,9,8,20,18/rA:20nCCCCCCCONCCCCCCClClOCO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;s13;s4;s18;s3s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H9Cl2NO3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.96899 |
Area: | 482.431 |
Solvation: | -3.09178 |
Coulombic: | -38.7609 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 310.132 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.99 |
LogP (Chemaxon): | 3.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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