Chemical ID: 4547475

Cc1ccc(c(c1)CN2c3ccc(cc3C(=O)C2=O)Br)C
Chemical ID:
4547475
Name [?]:
5-bromo-1-[(2,5-dimethylphenyl)methyl]indoline-2,3-dione
SMILES [?]:
Cc1ccc(c(c1)CN2c3ccc(cc3C(=O)C2=O)Br)C
InChi [?]:
InChI=1/C17H14BrNO2/c1-10-3-4-11(2)12(7-10)9-19-15-6-5-13(18)8-14(15)16(20)17(19)21/h3-8H,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,3,4,12,11,7,14,8,2,5,6,13,15,10,16,18,20,9,17,19/rA:21nCCCCCCCCNCCCCCCCOCOBrC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;d11;s12;d13;d10s14;s15;d16;s9s16;d18;s13;s5;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14BrNO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.53258
Area:481.597
Solvation:-2.50735
Coulombic:-28.4145
Bond Count [?]
All:23
Single:15
Double:8
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:344.203
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.11
LogP (Chemaxon):4.39

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