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Chemical ID: 7529686
Chemical ID:
7529686
Name [?]:
3-[(2-chlorophenyl)carbamoylmethoxy]benzoic acid
SMILES [?]:
c1ccc(c(c1)NC(=O)COc2cccc(c2)C(=O)O)Cl
InChi [?]:
InChI=1/C15H12ClNO4/c16-12-6-1-2-7-13(12)17-14(18)9-21-11-5-3-4-10(8-11)15(19)20/h1-8H,9H2,(H,17,18)(H,19,20)
InChi Info:
AuxInfo=1/1/N:2,1,14,15,13,3,6,17,10,16,12,4,5,8,18,21,7,9,19,20,11/E:(19,20)/rA:21nCCCCCCNCOCOCCCCCCCOOCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s16;d18;s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12ClNO4 |
All Atoms: | 33 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.04511 |
Area: | 505.607 |
Solvation: | -4.59507 |
Coulombic: | -56.541 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.91 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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