Chemical ID: 6910134

c1ccc2c(c1)C(=O)C(=O)N2CC(=O)N3CCCCCC3
Chemical ID:
6910134
Name [?]:
1-(azepan-1-ylcarbonylmethyl)indoline-2,3-dione
SMILES [?]:
c1ccc2c(c1)C(=O)C(=O)N2CC(=O)N3CCCCCC3
InChi [?]:
InChI=1/C16H18N2O3/c19-14(17-9-5-1-2-6-10-17)11-18-13-8-4-3-7-12(13)15(20)16(18)21/h3-4,7-8H,1-2,5-6,9-11H2
InChi Info:
AuxInfo=1/0/N:18,19,1,2,17,20,6,3,16,21,12,5,4,13,7,9,15,11,14,8,10/E:(1,2)(5,6)(9,10)/rA:21nCCCCCCCOCONCCONCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;d9;s4s9;s11;s12;d13;s13;s15;s16;s17;s18;s19;s15s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18N2O3
All Atoms:39
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.03844
Area:465.572
Solvation:-3.60086
Coulombic:-43.4436
Bond Count [?]
All:23
Single:17
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:286.326
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.26
LogP (Chemaxon):1.17

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