Chemical ID: 4472441

c1ccc(c(c1)CNc2ccc(cc2)C(=O)O)OCc3ccc(cc3)F
Chemical ID:
4472441
Name [?]:
4-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzoic acid
SMILES [?]:
c1ccc(c(c1)CNc2ccc(cc2)C(=O)O)OCc3ccc(cc3)F
InChi [?]:
InChI=1/C21H18FNO3/c22-18-9-5-15(6-10-18)14-26-20-4-2-1-3-17(20)13-23-19-11-7-16(8-12-19)21(24)25/h1-12,23H,13-14H2,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,21,25,11,13,22,24,10,14,7,19,20,12,5,23,9,4,15,26,8,16,17,18/E:(5,6)(7,8)(9,10)(11,12)(24,25)/rA:26nCCCCCCCNCCCCCCCOOOCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s11;d12;d9s13;s12;d15;s15;s4;s18;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H18FNO3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.89895
Area:579.58
Solvation:-4.59055
Coulombic:-52.9538
Bond Count [?]
All:28
Single:18
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:351.371
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.78
LogP (Chemaxon):4.58

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Descriptor Annotations

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