Chemical ID: 4092986

c1cc(ccc1C(=O)O)N2C(=O)C3C4CC(C3C2=O)C=C4
Chemical ID:
4092986
Name [?]:
None
SMILES [?]:
c1cc(ccc1C(=O)O)N2C(=O)C3C4CC(C3C2=O)C=C4
InChi [?]:
InChI=1/C16H13NO4/c18-14-12-9-1-2-10(7-9)13(12)15(19)17(14)11-5-3-8(4-6-11)16(20)21/h1-6,9-10,12-13H,7H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:20,21,1,5,2,4,15,6,16,14,3,17,13,18,11,7,10,19,12,8,9/E:(1,2)(3,4)(5,6)(9,10)(12,13)(14,15)(18,19)(20,21)/rA:21cCCCCCCCOONCOCCCCCCOCC/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s3;s10;d11;s11;s13;s14;s15;s13s16;s10s17;d18;s16;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13NO4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:4
ZAP Information [?]
Total:7.83758
Area:448.753
Solvation:-3.38126
Coulombic:-51.8848
Bond Count [?]
All:24
Single:17
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:283.279
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.32
LogP (Chemaxon):1.28

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