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Chemical ID: 6869334
Chemical ID:
6869334
Name [?]:
(4-chlorophenyl)carbamoylmethyl 3,5-dimethoxybenzoate
SMILES [?]:
COc1cc(cc(c1)OC)C(=O)OCC(=O)Nc2ccc(cc2)Cl
InChi [?]:
InChI=1/C17H16ClNO5/c1-22-14-7-11(8-15(9-14)23-2)17(21)24-10-16(20)19-13-5-3-12(18)4-6-13/h3-9H,10H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,10,20,22,19,23,4,6,8,14,5,21,18,3,7,15,11,24,17,16,12,2,9,13/E:(1,2)(3,4)(5,6)(7,8)(14,15)(22,23)/rA:24nCOCCCCCCOCCOOCCONCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;d11;s11;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16ClNO5 |
All Atoms: | 40 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.35394 |
Area: | 570.213 |
Solvation: | -5.90139 |
Coulombic: | -54.0019 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 349.765 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.15 |
LogP (Chemaxon): | 2.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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