Chemical ID: 6433641

CN1c2ccccc2C(=Nc3ccc(cc3)Br)C1=O
Chemical ID:
6433641
Name [?]:
3-(4-bromophenyl)imino-1-methyl-indolin-2-one
SMILES [?]:
CN1c2ccccc2C(=Nc3ccc(cc3)Br)C1=O
InChi [?]:
InChI=1/C15H11BrN2O/c1-18-13-5-3-2-4-12(13)14(15(18)19)17-11-8-6-10(16)7-9-11/h2-9H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,4,13,15,12,16,14,11,8,3,9,18,17,10,2,19/E:(6,7)(8,9)/rA:19nCNCCCCCCCNCCCCCCBrCO/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:C15H11BrN2O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.87092
Area:435.847
Solvation:-2.02525
Coulombic:-25.0655
Bond Count [?]
All:21
Single:13
Double:8
Rotors:1
Chiral:1
Rigid Segments:2
Chemical Properties
Molecular Weight:315.165
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.18
LogP (Chemaxon):4.2

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue