Chemical ID: 4260992

c1ccc2c(c1)c(c[nH]2)C(=O)CCCC(=O)[O-]
Chemical ID:
4260992
Name [?]:
5-(1H-indol-3-yl)-5-oxo-pentanoate
SMILES [?]:
c1ccc2c(c1)c(c[nH]2)C(=O)CCCC(=O)[O-]
InChi [?]:
InChI=1/C13H13NO3/c15-12(6-3-7-13(16)17)10-8-14-11-5-2-1-4-9(10)11/h1-2,4-5,8,14H,3,6-7H2,(H,16,17)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,13,6,3,12,14,8,5,7,4,10,15,9,11,16,17/E:(16,17)/rA:17nCCCCCCCCNCOCCCCOO-/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s7;d10;s10;s12;s13;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12NO3-
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:-34.7293
Area:423.263
Solvation:-45.3109
Coulombic:-16.6164
Bond Count [?]
All:18
Single:12
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:230.239
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.18
LogP (Chemaxon):1.94

Name Annotations

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Descriptor Annotations

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