Chemical ID: 6622388

c1ccc(cc1)COc2ccc(cc2Cl)CCC(=O)O
Chemical ID:
6622388
Name [?]:
3-(4-benzyloxy-3-chloro-phenyl)propanoic acid
SMILES [?]:
c1ccc(cc1)COc2ccc(cc2Cl)CCC(=O)O
InChi [?]:
InChI=1/C16H15ClO3/c17-14-10-12(7-9-16(18)19)6-8-15(14)20-11-13-4-2-1-3-5-13/h1-6,8,10H,7,9,11H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,11,16,10,17,13,7,12,4,14,9,18,15,19,20,8/E:(2,3)(4,5)(18,19)/rA:20nCCCCCCCOCCCCCCClCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;s12;s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15ClO3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.97646
Area:507.074
Solvation:-3.70038
Coulombic:-35.8778
Bond Count [?]
All:21
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:290.741
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.87
LogP (Chemaxon):4.12

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