Chemical ID: 6826580

c1ccc(c(c1)C[NH2+]CCCCCCCCC(=O)[O-])O
Chemical ID:
6826580
Name [?]:
9-[(2-hydroxyphenyl)methylammonio]nonanoate
SMILES [?]:
c1ccc(c(c1)C[NH2+]CCCCCCCCC(=O)[O-])O
InChi [?]:
InChI=1/C16H25NO3/c18-15-10-7-6-9-14(15)13-17-12-8-4-2-1-3-5-11-16(19)20/h6-7,9-10,17-18H,1-5,8,11-13H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:13,12,14,11,15,1,2,10,6,3,16,9,7,5,4,17,8,20,18,19/E:(19,20)/rA:20nCCCCCCCN+CCCCCCCCCOO-O/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s17;s4;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H25NO3
All Atoms:45
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-51.3204
Area:544.213
Solvation:-64.9257
Coulombic:6.44568
Bond Count [?]
All:20
Single:16
Double:4
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:279.375
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:2.97
LogP (Chemaxon):-0.94

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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