Chemical ID: 6701003

c1ccc2c(c1)c(ncn2)Nc3cccc(c3)C(=O)[O-]
Chemical ID:
6701003
Name [?]:
3-quinazolin-4-ylaminobenzoate
SMILES [?]:
c1ccc2c(c1)c(ncn2)Nc3cccc(c3)C(=O)[O-]
InChi [?]:
InChI=1/C15H11N3O2/c19-15(20)10-4-3-5-11(8-10)18-14-12-6-1-2-7-13(12)16-9-17-14/h1-9H,(H,19,20)(H,16,17,18)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,14,15,13,6,3,17,9,16,12,5,4,7,18,10,8,11,19,20/E:(19,20)/rA:20nCCCCCCCNCNNCCCCCCCOO-/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s7;s11;s12;d13;s14;d15;d12s16;s16;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10N3O2-
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-33.8334
Area:439.75
Solvation:-44.8272
Coulombic:-22.4409
Bond Count [?]
All:22
Single:13
Double:9
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:264.259
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.16
LogP (Chemaxon):2.18

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