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Chemical ID: 5026118
Chemical ID:
5026118
Name [?]:
1-(2-hydroxypropylamino)indan-2-ol
SMILES [?]:
CC(CNC1c2ccccc2CC1O)O
InChi [?]:
InChI=1/C12H17NO2/c1-8(14)7-13-12-10-5-3-2-4-9(10)6-11(12)15/h2-5,8,11-15H,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,8,10,7,12,3,2,11,6,13,5,4,15,14/rA:15cCCCNCCCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s5s12;s13;s2;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17NO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 5.07653 |
Area: | 383.945 |
Solvation: | -4.52209 |
Coulombic: | -41.6489 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 207.269 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 0.99 |
LogP (Chemaxon): | 1.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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