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Chemical ID: 7510371
Chemical ID:
7510371
Name [?]:
2-[2-(3-chlorophenoxy)propanoylamino]benzoic acid
SMILES [?]:
CC(C(=O)Nc1ccccc1C(=O)O)Oc2cccc(c2)Cl
InChi [?]:
InChI=1/C16H14ClNO4/c1-10(22-12-6-4-5-11(17)9-12)15(19)18-14-8-3-2-7-13(14)16(20)21/h2-10H,1H3,(H,18,19)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,9,8,18,19,17,10,7,21,2,20,16,11,6,3,12,22,5,4,13,14,15/E:(20,21)/rA:22cCCCONCCCCCCCOOOCCCCCCCl/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s11;d12;s12;s2;s15;s16;d17;s18;d19;d16s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14ClNO4 |
All Atoms: | 36 |
Heavy Atoms: | 22 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.95802 |
Area: | 511.183 |
Solvation: | -3.82154 |
Coulombic: | -57.906 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.08 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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