ChemDB: Chemical Search
Download
Chemical ID: 7518190
Chemical ID:
7518190
Name [?]:
None
SMILES [?]:
c1cc(ccc1CN2C(=O)C3C4CCC(C3C2=O)C=C4)Br
InChi [?]:
InChI=1/C17H16BrNO2/c18-13-7-1-10(2-8-13)9-19-16(20)14-11-3-4-12(6-5-11)15(14)17(19)21/h1-4,7-8,11-12,14-15H,5-6,9H2
InChi Info:
AuxInfo=1/0/N:1,5,19,20,14,13,2,4,7,6,15,12,3,16,11,17,9,21,8,18,10/E:(1,2)(3,4)(5,6)(7,8)(11,12)(14,15)(16,17)(20,21)/rA:21cCCCCCCCNCOCCCCCCCOCCBr/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s8s16;d17;s15;s12d19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16BrNO2 |
All Atoms: | 37 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.16183 |
Area: | 455.326 |
Solvation: | -2.22131 |
Coulombic: | -26.7514 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.22 |
LogP (Chemaxon): | None |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|