ChemDB: Chemical Search
Download
Chemical ID: 7609682
Chemical ID:
7609682
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)CCN3C2Cc4ccccc4C3
InChi [?]:
InChI=1/C17H17N/c1-2-7-15-12-18-10-9-13-5-3-4-8-16(13)17(18)11-14(15)6-1/h1-8,17H,9-12H2
InChi Info:
AuxInfo=1/0/N:14,15,1,2,6,13,16,3,7,8,11,18,5,12,17,4,10,9/rA:18cCCCCCCCCNCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4s9;s10;s11;s12;d13;s14;d15;d12s16;s9s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17N |
All Atoms: | 35 |
Heavy Atoms: | 18 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.50145 |
Area: | 399.424 |
Solvation: | -1.48416 |
Coulombic: | -7.64459 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 0 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.28 |
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 |
---|