Chemical ID: 5173825

c1ccc(cc1)C(=O)Oc2ccc(cc2)N
Chemical ID:
5173825
Name [?]:
(4-aminophenyl) benzoate
SMILES [?]:
c1ccc(cc1)C(=O)Oc2ccc(cc2)N
InChi [?]:
InChI=1/C13H11NO2/c14-11-6-8-12(9-7-11)16-13(15)10-4-2-1-3-5-10/h1-9H,14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,12,14,11,15,4,13,10,7,16,8,9/E:(2,3)(4,5)(6,7)(8,9)/rA:16nCCCCCCCOOCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H11NO2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.33504
Area:398.573
Solvation:-1.6293
Coulombic:-38.1827
Bond Count [?]
All:17
Single:10
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:213.232
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.71
LogP (Chemaxon):2.49

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Descriptor Annotations

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