Chemical ID: 4118389

c1cc2cc(c(=O)n3c2c(c1)CC3)C=CC(=O)O
Chemical ID:
4118389
Name [?]:
None
SMILES [?]:
c1cc2cc(c(=O)n3c2c(c1)CC3)C=CC(=O)O
InChi [?]:
InChI=1/C14H11NO3/c16-12(17)5-4-11-8-10-3-1-2-9-6-7-15(13(9)10)14(11)18/h1-5,8H,6-7H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,11,2,14,15,12,13,4,10,3,5,16,9,6,8,17,18,7/E:(16,17)/rA:18nCCCCCCONCCCCCCCCOO/rB:s1;d2;s3;d4;s5;d6;s6;s3s8;d9;d1s10;s10;s8s12;s5;w14;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11NO3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:6.76274
Area:390.76
Solvation:-3.00626
Coulombic:-43.6617
Bond Count [?]
All:20
Single:13
Double:7
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:241.242
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.04
LogP (Chemaxon):2.27

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Descriptor Annotations

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