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Chemical ID: 6882608
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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