Chemical ID: 4550879

c1ccc2c(c1)C(=O)C(=O)N2Cc3ccc(cc3)Br
Chemical ID:
4550879
Name [?]:
1-[(4-bromophenyl)methyl]indoline-2,3-dione
SMILES [?]:
c1ccc2c(c1)C(=O)C(=O)N2Cc3ccc(cc3)Br
InChi [?]:
InChI=1/C15H10BrNO2/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)15(17)19/h1-8H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,14,18,15,17,12,13,16,5,4,7,9,19,11,8,10/E:(5,6)(7,8)/rA:19nCCCCCCCOCONCCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;d9;s4s9;s11;s12;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10BrNO2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.64413
Area:439.627
Solvation:-2.34654
Coulombic:-29.3802
Bond Count [?]
All:21
Single:13
Double:8
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:316.149
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.24
LogP (Chemaxon):3.45

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