Chemical ID: 6735410

c1cc2c(cc1C(=O)[O-])C(=O)N(C2=O)C3CCCCC3
Chemical ID:
6735410
Name [?]:
2-cyclohexyl-1,3-dioxo-isoindoline-5-carboxylate
SMILES [?]:
c1cc2c(cc1C(=O)[O-])C(=O)N(C2=O)C3CCCCC3
InChi [?]:
InChI=1/C15H15NO4/c17-13-11-7-6-9(15(19)20)8-12(11)14(18)16(13)10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,19,20)/p-1
InChi Info:
AuxInfo=1/1/N:18,17,19,16,20,1,2,5,6,15,3,4,13,10,7,12,14,11,8,9/E:(2,3)(4,5)(19,20)/rA:20nCCCCCCCOO-CONCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s4;d10;s10;s3s12;d13;s12;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14NO4-
All Atoms:34
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-30.6513
Area:447.777
Solvation:-41.8457
Coulombic:-29.6359
Bond Count [?]
All:22
Single:16
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:272.276
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.1
LogP (Chemaxon):1.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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