Chemical ID: 7670380

CC(=O)N1CCc2c1ccc(c2)C(=O)O
Chemical ID:
7670380
Name [?]:
None
SMILES [?]:
CC(=O)N1CCc2c1ccc(c2)C(=O)O
InChi [?]:
InChI=1/C11H11NO3/c1-7(13)12-5-4-8-6-9(11(14)15)2-3-10(8)12/h2-3,6H,4-5H2,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,10,9,6,5,12,2,7,11,8,13,4,3,14,15/E:(14,15)/rA:15nCCONCCCCCCCCCOO/rB:s1;d2;s2;s4;s5;s6;s4s7;d8;s9;d10;d7s11;s11;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11NO3
All Atoms:26
Heavy Atoms:15
Chiral Atoms:None
ZAP Information [?]
Total:6.39934
Area:369.062
Solvation:-2.82721
Coulombic:-41.6642
Bond Count [?]
All:16
Single:11
Double:5
Rotors:2
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:0.88
LogP (Chemaxon):None

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue