(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic acid
Inhibitor information
- CovInDB Inhibitor
- CI006125
- Name
- (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic acid
- Molecular Formula
- C10H10O4
- Molecular Weight
- 194.0579088
- Structure
-
- IUPAC Name
- (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic acid
- InChI
- InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
- InChI Key
- KSEBMYQBYZTDHS-HWKANZROSA-N
- Canonical SMILES
- COc1cc(/C=C/C(=O)O)ccc1O
Calculated Properties
- Molecular Weight
-
194.0579088
Computed by RDKit
- logP
-
1.344
Computed by ALOGPS
- logS
-
-2.598
Computed by ALOGPS
- Heavy Atom Count
-
14
Computed by RDKit
- Ring Count
-
1
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
3
Computed by RDKit
- Hydrogen Bond Donor Count
-
2
Computed by RDKit
- Rotatable Bond Count
-
3
Computed by RDKit
- Topological Polar Surface Area
-
66.76 Å2
Computed by RDKit
3D Structure
targets
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selectivity
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