Chemical ID: 4776692

CCc1ccc(cc1)NCN2c3ccccc3C(=O)C2=O
Chemical ID:
4776692
Name [?]:
1-[(4-ethylphenyl)aminomethyl]indoline-2,3-dione
SMILES [?]:
CCc1ccc(cc1)NCN2c3ccccc3C(=O)C2=O
InChi [?]:
InChI=1/C17H16N2O2/c1-2-12-7-9-13(10-8-12)18-11-19-15-6-4-3-5-14(15)16(20)17(19)21/h3-10,18H,2,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,15,14,16,13,4,8,5,7,10,3,6,17,12,18,20,9,11,19,21/E:(7,8)(9,10)/rA:21nCCCCCCCCNCNCCCCCCCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;d18;s11s18;d20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16N2O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.17818
Area:471.809
Solvation:-2.61705
Coulombic:-40.2648
Bond Count [?]
All:23
Single:15
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:280.321
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.22
LogP (Chemaxon):3.56

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