Chemical ID: 6664455

CCOC(=O)c1ccc(cc1)NCc2ccccc2O
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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