Chemical ID: 4153865

c1ccc(c(c1)C(=O)O)NC(=O)CCCOc2ccc(cc2)Cl
Chemical ID:
4153865
Name [?]:
2-[4-(4-chlorophenoxy)butanoylamino]benzoic acid
SMILES [?]:
c1ccc(c(c1)C(=O)O)NC(=O)CCCOc2ccc(cc2)Cl
InChi [?]:
InChI=1/C17H16ClNO4/c18-12-7-9-13(10-8-12)23-11-3-6-16(20)19-15-5-2-1-4-14(15)17(21)22/h1-2,4-5,7-10H,3,6,11H2,(H,19,20)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,14,6,3,13,19,21,18,22,15,20,17,5,4,11,7,23,10,12,8,9,16/E:(7,8)(9,10)(21,22)/rA:23nCCCCCCCOONCOCCCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;s10;d11;s11;s13;s14;s15;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16ClNO4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.74175
Area:554.716
Solvation:-4.12615
Coulombic:-55.8808
Bond Count [?]
All:24
Single:16
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:333.766
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.07
LogP (Chemaxon):3.99

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