Chemical ID: 6728159

Cc1c(cccc1NCc2ccccc2)C(=O)[O-]
Chemical ID:
6728159
Name [?]:
3-benzylamino-2-methyl-benzoate
SMILES [?]:
Cc1c(cccc1NCc2ccccc2)C(=O)[O-]
InChi [?]:
InChI=1/C15H15NO2/c1-11-13(15(17)18)8-5-9-14(11)16-10-12-6-3-2-4-7-12/h2-9,16H,10H2,1H3,(H,17,18)/p-1
InChi Info:
AuxInfo=1/1/N:1,13,12,14,5,11,15,4,6,9,2,10,3,7,16,8,17,18/E:(3,4)(6,7)(17,18)/rA:18nCCCCCCCNCCCCCCCCOO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s3;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14NO2-
All Atoms:32
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:-32.3276
Area:439.691
Solvation:-43.3199
Coulombic:-13.7485
Bond Count [?]
All:19
Single:12
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:240.277
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.74
LogP (Chemaxon):3.03

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Descriptor Annotations

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