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Chemical ID: 3966300
Chemical ID:
3966300
Name [?]:
None
SMILES [?]:
CN1CCC23CCCCC2C1Cc4c3cc(cc4)OC
InChi [?]:
InChI=1/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,8,7,9,18,17,6,4,3,12,15,13,16,10,14,11,5,2,19/rA:20cCNCCCCCCCCCCCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s2s10;s11;s12;s5s13;d14;s15;d16;d13s17;s16;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H25NO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 21.7117 |
Area: | 0.0 |
Solvation: | 21.7117 |
Coulombic: | 0.0 |
Bond Count [?]
All: | 23 |
Single: | 20 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 271.397 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.61 |
LogP (Chemaxon): | 3.35 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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