Chemical ID: 6477146

c1ccc(c(c1)CC(=O)O)C(=O)Nc2ccc3c(c2)OCO3
Chemical ID:
6477146
Name [?]:
2-[2-(benzo[1,3]dioxol-5-ylcarbamoyl)phenyl]acetic acid
SMILES [?]:
c1ccc(c(c1)CC(=O)O)C(=O)Nc2ccc3c(c2)OCO3
InChi [?]:
InChI=1/C16H13NO5/c18-15(19)7-10-3-1-2-4-12(10)16(20)17-11-5-6-13-14(8-11)22-9-21-13/h1-6,8H,7,9H2,(H,17,20)(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,15,16,7,19,21,5,14,4,17,18,8,11,13,9,10,12,22,20/E:(18,19)/rA:22nCCCCCCCCOOCONCCCCCCOCO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s4;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13NO5
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.29068
Area:475.423
Solvation:-4.59489
Coulombic:-63.5582
Bond Count [?]
All:24
Single:16
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:299.278
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.18
LogP (Chemaxon):2.42

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