Chemical ID: 5759610

CCCCC(C(=O)Nc1ccc2c(c1)OCCO2)Br
Chemical ID:
5759610
Name [?]:
2-bromo-N-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl)hexanamide
SMILES [?]:
CCCCC(C(=O)Nc1ccc2c(c1)OCCO2)Br
InChi [?]:
InChI=1/C14H18BrNO3/c1-2-3-4-11(15)14(17)16-10-5-6-12-13(9-10)19-8-7-18-12/h5-6,9,11H,2-4,7-8H2,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,10,11,17,16,14,9,5,12,13,6,19,8,7,18,15/rA:19cCCCCCCONCCCCCCOCCOBr/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s13;s15;s16;s12s17;s5;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18BrNO3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:8.52787
Area:481.284
Solvation:-3.50421
Coulombic:-37.1594
Bond Count [?]
All:20
Single:16
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:328.202
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.26
LogP (Chemaxon):3.14

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