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Chemical ID: 5623385
Chemical ID:
5623385
Name [?]:
methyl 2-(3-chlorobenzoyl)aminobenzoate
SMILES [?]:
COC(=O)c1ccccc1NC(=O)c2cccc(c2)Cl
InChi [?]:
InChI=1/C15H12ClNO3/c1-20-15(19)12-7-2-3-8-13(12)17-14(18)10-5-4-6-11(16)9-10/h2-9H,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,7,8,16,15,17,6,9,19,14,18,5,10,12,3,20,11,13,4,2/rA:20nCOCOCCCCCCNCOCCCCCCCl/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12ClNO3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.66223 |
Area: | 476.022 |
Solvation: | -2.23832 |
Coulombic: | -43.4296 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 289.713 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.98 |
LogP (Chemaxon): | 3.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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