Chemical ID: 5650644

c1ccc2c(c1)CCN2CCC(=O)O
Chemical ID:
5650644
Name [?]:
3-indolin-1-ylpropanoic acid
SMILES [?]:
c1ccc2c(c1)CCN2CCC(=O)O
InChi [?]:
InChI=1/C11H13NO2/c13-11(14)6-8-12-7-5-9-3-1-2-4-10(9)12/h1-4H,5-8H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,11,8,10,5,4,12,9,13,14/E:(13,14)/rA:14cCCCCCCCCNCCCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;s9;s10;s11;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13NO2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:6.82176
Area:364.562
Solvation:-2.29229
Coulombic:-32.5702
Bond Count [?]
All:15
Single:11
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:191.226
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.62
LogP (Chemaxon):1.58

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