Chemical ID: 7007096

CCOc1ccc(c2c1cccc2)C(=O)NCC(=O)O
Chemical ID:
7007096
Name [?]:
2-[(4-ethoxy-1-naphthyl)carbonylamino]acetic acid
SMILES [?]:
CCOc1ccc(c2c1cccc2)C(=O)NCC(=O)O
InChi [?]:
InChI=1/C15H15NO4/c1-2-20-13-8-7-12(15(19)16-9-14(17)18)10-5-3-4-6-11(10)13/h3-8H,2,9H2,1H3,(H,16,19)(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,12,11,13,10,6,5,17,8,9,7,4,18,14,16,19,20,15,3/E:(17,18)/rA:20nCCOCCCCCCCCCCCONCCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s11;s8d12;s7;d14;s14;s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15NO4
All Atoms:35
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.15333
Area:469.652
Solvation:-3.58798
Coulombic:-57.0215
Bond Count [?]
All:21
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:273.284
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.41
LogP (Chemaxon):1.58

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