Chemical ID: 6390336

c1cc2c(cc1C(=O)Nc3ccc(cc3Cl)Cl)OCO2
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

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Descriptor Annotations

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