Chemical ID: 7154907

c1ccc(cc1)COc2ccc3ccccc3c2C(=O)O
Chemical ID:
7154907
Name [?]:
2-benzyloxynaphthalene-1-carboxylic acid
SMILES [?]:
c1ccc(cc1)COc2ccc3ccccc3c2C(=O)O
InChi [?]:
InChI=1/C18H14O3/c19-18(20)17-15-9-5-4-8-14(15)10-11-16(17)21-12-13-6-2-1-3-7-13/h1-11H,12H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,14,15,3,5,13,16,11,10,7,4,12,17,9,18,19,20,21,8/E:(2,3)(6,7)(19,20)/rA:21nCCCCCCCOCCCCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;s12;d13;s14;d15;d12s16;d9s17;s18;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14O3
All Atoms:35
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.53092
Area:474.99
Solvation:-3.34384
Coulombic:-38.0734
Bond Count [?]
All:23
Single:14
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:278.302
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.53
LogP (Chemaxon):4.09

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Descriptor Annotations

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