Chemical ID: 4299489

C1CCC2C(C1)C(=O)N(C2=O)CCCCCC(=O)O
Chemical ID:
4299489
Name [?]:
6-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)hexanoic acid
SMILES [?]:
C1CCC2C(C1)C(=O)N(C2=O)CCCCCC(=O)O
InChi [?]:
InChI=1/C14H21NO4/c16-12(17)8-2-1-5-9-15-13(18)10-6-3-4-7-11(10)14(15)19/h10-11H,1-9H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:14,15,1,2,13,6,3,16,12,5,4,17,7,10,9,18,19,8,11/E:(3,4)(6,7)(10,11)(13,14)(16,17)(18,19)/rA:19cCCCCCCCONCOCCCCCCOO/rB:s1;s2;s3;s4;s1s5;s5;d7;s7;s4s9;d10;s9;s12;s13;s14;s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21NO4
All Atoms:19
Heavy Atoms:19
Chiral Atoms:2
ZAP Information [?]
Total:8.19607
Area:472.167
Solvation:-3.60811
Coulombic:-49.8045
Bond Count [?]
All:20
Single:17
Double:3
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:267.321
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.17
LogP (Chemaxon):1.35

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