Chemical ID: 6799078

c1ccc(cc1)Oc2cccc(c2)C[NH2+]CCCCCC(=O)[O-]
Chemical ID:
6799078
Name [?]:
6-[(3-phenoxyphenyl)methylammonio]hexanoate
SMILES [?]:
c1ccc(cc1)Oc2cccc(c2)C[NH2+]CCCCCC(=O)[O-]
InChi [?]:
InChI=1/C19H23NO3/c21-19(22)12-5-2-6-13-20-15-16-8-7-11-18(14-16)23-17-9-3-1-4-10-17/h1,3-4,7-11,14,20H,2,5-6,12-13,15H2,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,18,2,6,19,17,10,11,3,5,9,20,16,13,14,12,4,8,21,15,22,23,7/E:(3,4)(9,10)(21,22)/rA:23nCCCCCCOCCCCCCCN+CCCCCCOO-/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s12;s14;s15;s16;s17;s18;s19;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H23NO3
All Atoms:46
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-45.5249
Area:568.964
Solvation:-59.749
Coulombic:8.74987
Bond Count [?]
All:24
Single:17
Double:7
Rotors:10
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:313.391
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.15
LogP (Chemaxon):0.68

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