Chemical ID: 6831908

c1ccc(cc1)c2cc3c(n2c4cccc(c4)C(=O)[O-])CCCC3=O
Chemical ID:
6831908
Name [?]:
3-(4-oxo-2-phenyl-6,7-dihydro-5H-indol-1-yl)benzoate
SMILES [?]:
c1ccc(cc1)c2cc3c(n2c4cccc(c4)C(=O)[O-])CCCC3=O
InChi [?]:
InChI=1/C21H17NO3/c23-20-11-5-10-18-17(20)13-19(14-6-2-1-3-7-14)22(18)16-9-4-8-15(12-16)21(24)25/h1-4,6-9,12-13H,5,10-11H2,(H,24,25)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,14,22,3,5,15,13,21,23,17,8,4,16,12,9,10,7,24,18,11,25,19,20/E:(2,3)(6,7)(24,25)/rA:25nCCCCCCCCCCNCCCCCCCOO-CCCCO/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s11;s12;d13;s14;d15;d12s16;s16;d18;s18;s10;s21;s22;s9s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H16NO3-
All Atoms:41
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:-31.3397
Area:516.913
Solvation:-44.2626
Coulombic:-15.4348
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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Descriptor Annotations

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