Chemical ID: 4567340

Cc1c2ccc(cc2oc(=O)c1Cc3ccccc3)OCC(=O)NCC(=O)O
Chemical ID:
4567340
Name [?]:
2-[2-(3-benzyl-4-methyl-2-oxo-chromen-7-yl)oxyacetyl]aminoacetic acid
SMILES [?]:
Cc1c2ccc(cc2oc(=O)c1Cc3ccccc3)OCC(=O)NCC(=O)O
InChi [?]:
InChI=1/C21H19NO6/c1-13-16-8-7-15(27-12-19(23)22-11-20(24)25)10-18(16)28-21(26)17(13)9-14-5-3-2-4-6-14/h2-8,10H,9,11-12H2,1H3,(H,22,23)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,15,19,5,4,13,7,25,21,2,14,6,3,12,8,22,26,10,24,23,27,28,11,20,9/E:(3,4)(5,6)(24,25)/rA:28nCCCCCCCCOCOCCCCCCCCOCCONCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;d2s10;s12;s13;s14;d15;s16;d17;d14s18;s6;s20;s21;d22;s22;s24;s25;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19NO6
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:8.81471
Area:601.072
Solvation:-6.21209
Coulombic:-74.027
Bond Count [?]
All:30
Single:20
Double:10
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:381.379
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.27
LogP (Chemaxon):2.87

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