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Chemical ID: 7087192
Chemical ID:
7087192
Name [?]:
2-amino-1-(4-quinolyl)ethanol
SMILES [?]:
c1ccc2c(c1)c(ccn2)C(CN)O
InChi [?]:
InChI=1/C11H12N2O/c12-7-11(14)9-5-6-13-10-4-2-1-3-8(9)10/h1-6,11,14H,7,12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,8,9,12,5,7,4,11,13,10,14/rA:14cCCCCCCCCCNCCNO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s7;s11;s12;s11;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12N2O |
All Atoms: | 26 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.13698 |
Area: | 354.146 |
Solvation: | -2.71667 |
Coulombic: | -34.8107 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 188.226 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 2 |
XLogP: | 0.64 |
LogP (Chemaxon): | 0.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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