Chemical ID: 7432213

COc1ccc(cc1)C(CC(=O)O)n2cnnn2
Chemical ID:
7432213
Name [?]:
3-(4-methoxyphenyl)-3-tetrazol-1-yl-propanoic acid
SMILES [?]:
COc1ccc(cc1)C(CC(=O)O)n2cnnn2
InChi [?]:
InChI=1/C11H12N4O3/c1-18-9-4-2-8(3-5-9)10(6-11(16)17)15-7-12-13-14-15/h2-5,7,10H,6H2,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,5,7,4,8,10,15,6,3,9,11,16,17,18,14,12,13,2/E:(2,3)(4,5)(16,17)/rA:18cCOCCCCCCCCCOONCNNN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s9;s14;d15;s16;s14d17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12N4O3
All Atoms:30
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:5.63734
Area:425.128
Solvation:-4.99087
Coulombic:-35.6322
Bond Count [?]
All:19
Single:13
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:248.238
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.28
LogP (Chemaxon):0.56

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