Chemical ID: 6704158

c1ccc(cc1)c2cc3c(n2c4ccccc4C(=O)[O-])CCCC3=O
Chemical ID:
6704158
Name [?]:
2-(4-oxo-2-phenyl-6,7-dihydro-5H-indol-1-yl)benzoate
SMILES [?]:
c1ccc(cc1)c2cc3c(n2c4ccccc4C(=O)[O-])CCCC3=O
InChi [?]:
InChI=1/C21H17NO3/c23-20-12-6-11-18-16(20)13-19(14-7-2-1-3-8-14)22(18)17-10-5-4-9-15(17)21(24)25/h1-5,7-10,13H,6,11-12H2,(H,24,25)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,15,14,22,3,5,16,13,21,23,8,4,17,9,12,10,7,24,18,11,25,19,20/E:(2,3)(7,8)(24,25)/rA:25nCCCCCCCCCCNCCCCCCCOO-CCCCO/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s11;s12;d13;s14;d15;d12s16;s17;d18;s18;s10;s21;s22;s9s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H16NO3-
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:-30.816
Area:497.617
Solvation:-43.2564
Coulombic:-11.7103
Bond Count [?]
All:28
Single:18
Double:10
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:330.357
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.58
LogP (Chemaxon):3.19

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