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Chemical ID: 3967905
Chemical ID:
3967905
Name [?]:
4-(2-amino-1-hydroxy-ethyl)phenol
SMILES [?]:
c1cc(ccc1C(CN)O)O
InChi [?]:
InChI=1/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,8,6,3,7,9,11,10/E:(1,2)(3,4)/rA:11cCCCCCCCCNOO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s7;s3;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H11NO2 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 4.95348 |
Area: | 319.442 |
Solvation: | -3.03257 |
Coulombic: | -45.5805 |
Bond Count [?]
All: | 11 |
Single: | 8 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 153.178 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 3 |
XLogP: | 0.13 |
LogP (Chemaxon): | -0.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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