Chemical ID: 4184361

CC(=C1C2CC(NC1=O)(Oc3c2cc(cc3Br)Br)C)O
Chemical ID:
4184361
Name [?]:
None
SMILES [?]:
CC(=C1C2CC(NC1=O)(Oc3c2cc(cc3Br)Br)C)O
InChi [?]:
InChI=1/C14H13Br2NO3/c1-6(18)11-9-5-14(2,17-13(11)19)20-12-8(9)3-7(15)4-10(12)16/h3-4,9,18H,5H2,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,19,13,15,5,2,14,12,4,16,3,11,8,6,18,17,7,20,9,10/rA:20cCCCCCCNCOOCCCCCCBrBrCO/rB:s1;w2;s3;s4;s5;s6;s3s7;d8;s6;s10;s4s11;d12;s13;d14;d11s15;s16;s14;s6;s2;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13Br2NO3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:2
ZAP Information [?]
Total:7.00703
Area:448.536
Solvation:-4.20638
Coulombic:-42.8566
Bond Count [?]
All:22
Single:17
Double:5
Rotors:0
Chiral:1
Rigid Segments:1
Chemical Properties
Molecular Weight:403.066
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.4
LogP (Chemaxon):2.38

Name Annotations

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Descriptor Annotations

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