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Chemical ID: 6198954
Chemical ID:
6198954
Name [?]:
6-isopropyl-2,3,4,9-tetrahydro-1H-carbazol-1-ol
SMILES [?]:
CC(C)c1ccc2c(c1)c3c([nH]2)C(CCC3)O
InChi [?]:
InChI=1/C15H19NO/c1-9(2)10-6-7-13-12(8-10)11-4-3-5-14(17)15(11)16-13/h6-9,14,16-17H,3-5H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,15,16,14,5,6,9,2,4,10,8,7,13,11,12,17/E:(1,2)/rA:17cCCCCCCCCCCCNCCCCO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s8;d10;s7s11;s11;s13;s14;s10s15;s13;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H19NO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.97846 |
Area: | 409.763 |
Solvation: | -2.26562 |
Coulombic: | -29.1168 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 229.318 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.36 |
LogP (Chemaxon): | 3.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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