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Chemical ID: 6910134
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
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Experimental Annotations
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Descriptor Annotations
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