Chemical ID: 5778252

c1cc(ccc1OCC(=O)NCc2ccc3c(c2)OCO3)Cl
Chemical ID:
5778252
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyl)-2-(4-chlorophenoxy)-acetamide
SMILES [?]:
c1cc(ccc1OCC(=O)NCc2ccc3c(c2)OCO3)Cl
InChi [?]:
InChI=1/C16H14ClNO4/c17-12-2-4-13(5-3-12)20-9-16(19)18-8-11-1-6-14-15(7-11)22-10-21-14/h1-7H,8-10H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:14,2,4,1,5,15,18,12,8,20,13,3,6,16,17,9,22,11,10,7,21,19/E:(2,3)(4,5)/rA:22nCCCCCCOCCONCCCCCCCOCOCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;s19;s16s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14ClNO4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.81008
Area:532.095
Solvation:-5.49229
Coulombic:-45.4698
Bond Count [?]
All:24
Single:17
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:319.739
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.2
LogP (Chemaxon):2.7

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Descriptor Annotations

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