Chemical ID: 6650955

C=CCOc1ccc(cc1Cl)CNc2ccccc2C(=O)O
Chemical ID:
6650955
Name [?]:
2-[(4-allyloxy-3-chloro-phenyl)methylamino]benzoic acid
SMILES [?]:
C=CCOc1ccc(cc1Cl)CNc2ccccc2C(=O)O
InChi [?]:
InChI=1/C17H16ClNO3/c1-2-9-22-16-8-7-12(10-14(16)18)11-19-15-6-4-3-5-13(15)17(20)21/h2-8,10,19H,1,9,11H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,17,16,18,15,7,6,3,9,12,8,19,10,14,5,20,11,13,21,22,4/E:(20,21)/rA:22nCCCOCCCCCCClCNCCCCCCCOO/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s8;s12;s13;s14;d15;s16;d17;d14s18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16ClNO3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.94337
Area:534.428
Solvation:-3.41734
Coulombic:-50.6584
Bond Count [?]
All:23
Single:15
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:317.767
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.79
LogP (Chemaxon):4.57

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