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Chemical ID: 3967753
Chemical ID:
3967753
Name [?]:
None
SMILES [?]:
C=CCN1CCC23c4c5ccc(c4OC2C(C=CC3C1C5)O)O
InChi [?]:
InChI=1/C19H21NO3/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20/h2-6,12-13,15,18,21-22H,1,7-10H2
InChi Info:
AuxInfo=1/0/N:1,2,10,18,11,17,6,3,5,21,9,19,20,12,16,8,13,15,7,4,23,22,14/rA:23cCCCNCCCCCCCCCOCCCCCCCOO/rB:d1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;s7s14;s15;s16;d17;s7s18;s4s19;s9s20;s16;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21NO3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 6 |
ZAP Information [?]
Total: | 21.7122 |
Area: | 0.0 |
Solvation: | 21.7122 |
Coulombic: | 0.0 |
Bond Count [?]
All: | 27 |
Single: | 22 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 311.375 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.37 |
LogP (Chemaxon): | 2.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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