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Chemical ID: 6323496
Chemical ID:
6323496
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyl)-3,4-dichloro-benzamide
SMILES [?]:
c1cc2c(cc1CNC(=O)c3ccc(c(c3)Cl)Cl)OCO2
InChi [?]:
InChI=1/C15H11Cl2NO3/c16-11-3-2-10(6-12(11)17)15(19)18-7-9-1-4-13-14(5-9)21-8-20-13/h1-6H,7-8H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,12,13,2,5,16,7,20,6,11,14,15,3,4,9,18,17,8,10,21,19/rA:21nCCCCCCCNCOCCCCCCClClOCO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;s14;s4;s19;s3s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11Cl2NO3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.37589 |
Area: | 513.52 |
Solvation: | -3.46211 |
Coulombic: | -39.7489 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 324.158 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.14 |
LogP (Chemaxon): | 3.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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