Chemical ID: 6689540

c1cc(ccc1CCN)C(=O)O
Chemical ID:
6689540
Name [?]:
4-(2-aminoethyl)benzoic acid
SMILES [?]:
c1cc(ccc1CCN)C(=O)O
InChi [?]:
InChI=1/C9H11NO2/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4H,5-6,10H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,7,8,6,3,10,9,11,12/E:(1,2)(3,4)(11,12)/rA:12nCCCCCCCCNCOO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s3;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11NO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.85012
Area:343.411
Solvation:-1.73515
Coulombic:-40.9252
Bond Count [?]
All:12
Single:8
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:165.189
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:0.92
LogP (Chemaxon):-2.43

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Descriptor Annotations

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