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Chemical ID: 3967243
Chemical ID:
3967243
Name [?]:
None
SMILES [?]:
C=CCN1CCC23CCCCC2C1Cc4c3cc(cc4)O
InChi [?]:
InChI=1/C19H25NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h2,6-7,13,16,18,21H,1,3-5,8-12H2
InChi Info:
AuxInfo=1/0/N:1,2,10,9,11,20,19,8,6,3,5,14,17,15,18,12,16,13,7,4,21/rA:21cCCCNCCCCCCCCCCCCCCCCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s7s11;s4s12;s13;s14;s7s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H25NO |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 21.7121 |
Area: | 0.0 |
Solvation: | 21.7121 |
Coulombic: | 0.0 |
Bond Count [?]
All: | 24 |
Single: | 20 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 283.408 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.91 |
LogP (Chemaxon): | 3.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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