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Chemical ID: 6207625
Chemical ID:
6207625
Name [?]:
6-benzyloxy-2,3,4,9-tetrahydro-1H-carbazol-1-ol
SMILES [?]:
c1ccc(cc1)COc2ccc3c(c2)c4c([nH]3)C(CCC4)O
InChi [?]:
InChI=1/C19H19NO2/c21-18-8-4-7-15-16-11-14(9-10-17(16)20-19(15)18)22-12-13-5-2-1-3-6-13/h1-3,5-6,9-11,18,20-21H,4,7-8,12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,20,3,5,21,19,10,11,14,7,4,9,15,13,12,18,16,17,22,8/E:(2,3)(5,6)/rA:22cCCCCCCCOCCCCCCCCNCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s13;d15;s12s16;s16;s18;s19;s15s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19NO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.48314 |
Area: | 492.992 |
Solvation: | -3.84168 |
Coulombic: | -36.9825 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 293.36 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.58 |
LogP (Chemaxon): | 4.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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