Chemical ID: 7298823

CN1c2ccccc2C(=Cc3ccc(cc3)Br)C1=O
Chemical ID:
7298823
Name [?]:
3-[(4-bromophenyl)methylene]-1-methyl-indolin-2-one
SMILES [?]:
CN1c2ccccc2C(=Cc3ccc(cc3)Br)C1=O
InChi [?]:
InChI=1/C16H12BrNO/c1-18-15-5-3-2-4-13(15)14(16(18)19)10-11-6-8-12(17)9-7-11/h2-10H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,4,12,16,13,15,10,11,14,8,9,3,18,17,2,19/E:(6,7)(8,9)/rA:19nCNCCCCCCCCCCCCCCBrCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;s11;d12;s13;d14;d11s15;s14;s2s9;d18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12BrNO
All Atoms:31
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.25206
Area:440.729
Solvation:-1.76617
Coulombic:-19.491
Bond Count [?]
All:21
Single:13
Double:8
Rotors:1
Chiral:1
Rigid Segments:2
Chemical Properties
Molecular Weight:314.177
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.04
LogP (Chemaxon):3.7

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