ChemDB: Chemical Search
Download
Chemical ID: 7595200
Chemical ID:
7595200
Name [?]:
None
SMILES [?]:
CC12CCN(C(C1OC)Cc3c2cc(cc3)O)CC4CC4
InChi [?]:
InChI=1/C18H25NO2/c1-18-7-8-19(11-12-3-4-12)16(17(18)21-2)9-13-5-6-14(20)10-15(13)18/h5-6,10,12,16-17,20H,3-4,7-9,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,9,20,21,16,15,3,4,10,13,18,19,11,14,12,6,7,2,5,17,8/E:(3,4)/rA:21cCCCCNCCOCCCCCCCCOCCCC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s6;s10;s2s11;d12;s13;d14;d11s15;s14;s5;s18;s19;s19s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H25NO2 |
All Atoms: | 46 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.964 |
Area: | 466.961 |
Solvation: | -3.71002 |
Coulombic: | -29.7505 |
Bond Count [?]
All: | 24 |
Single: | 21 |
Double: | 3 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.21 |
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 |
---|