Chemical ID: 7510371

CC(C(=O)Nc1ccccc1C(=O)O)Oc2cccc(c2)Cl
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

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Descriptor Annotations

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