Chemical ID: 6882608

COc1ccc(cc1)C(=O)OCC(=O)Nc2cccc(c2)Cl
Chemical ID:
6882608
Name [?]:
(3-chlorophenyl)carbamoylmethyl 4-methoxybenzoate
SMILES [?]:
COc1ccc(cc1)C(=O)OCC(=O)Nc2cccc(c2)Cl
InChi [?]:
InChI=1/C16H14ClNO4/c1-21-14-7-5-11(6-8-14)16(20)22-10-15(19)18-13-4-2-3-12(17)9-13/h2-9H,10H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,18,19,17,5,7,4,8,21,12,6,20,16,3,13,9,22,15,14,10,2,11/E:(5,6)(7,8)/rA:22nCOCCCCCCCOOCCONCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14ClNO4
All Atoms:36
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.78875
Area:532.087
Solvation:-4.51342
Coulombic:-48.4288
Bond Count [?]
All:23
Single:15
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:319.739
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.23
LogP (Chemaxon):2.94

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