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Chemical ID: 6664455
Chemical ID:
6664455
Name [?]:
ethyl 4-[(2-hydroxyphenyl)methylamino]benzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)NCc2ccccc2O
InChi [?]:
InChI=1/C16H17NO3/c1-2-20-16(19)12-7-9-14(10-8-12)17-11-13-5-3-4-6-15(13)18/h3-10,17-18H,2,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,16,17,15,18,7,11,8,10,13,6,14,9,19,4,12,20,5,3/E:(7,8)(9,10)/rA:20nCCOCOCCCCCCNCCCCCCCO/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;s13;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17NO3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.49596 |
Area: | 492.531 |
Solvation: | -2.81732 |
Coulombic: | -49.4446 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 271.311 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.33 |
LogP (Chemaxon): | 3.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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