Chemical ID: 6700984

c1cc(cc(c1)N2C(=O)C3C4CC(C3C2=O)C=C4)C(=O)[O-]
Chemical ID:
6700984
Name [?]:
None
SMILES [?]:
c1cc(cc(c1)N2C(=O)C3C4CC(C3C2=O)C=C4)C(=O)[O-]
InChi [?]:
InChI=1/C16H13NO4/c18-14-12-8-4-5-9(6-8)13(12)15(19)17(14)11-3-1-2-10(7-11)16(20)21/h1-5,7-9,12-13H,6H2,(H,20,21)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,17,18,12,4,13,11,3,5,14,10,15,8,19,7,16,9,20,21/E:(4,5)(8,9)(12,13)(14,15)(18,19)(20,21)/rA:21cCCCCCCNCOCCCCCCOCCCOO-/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;s12;s10s13;s7s14;d15;s13;s11d17;s3;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12NO4-
All Atoms:21
Heavy Atoms:21
Chiral Atoms:4
ZAP Information [?]
Total:-34.3142
Area:446.219
Solvation:-45.4697
Coulombic:-23.988
Bond Count [?]
All:24
Single:17
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:282.271
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:0.84
LogP (Chemaxon):1.28

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Descriptor Annotations

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