Chemical ID: 4672893

c1ccc2c(c1)ccc3c2cc(c(=O)o3)C(=O)Nc4cccc(c4)O
Chemical ID:
4672893
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2cc(c(=O)o3)C(=O)Nc4cccc(c4)O
InChi [?]:
InChI=1/C20H13NO4/c22-14-6-3-5-13(10-14)21-19(23)17-11-16-15-7-2-1-4-12(15)8-9-18(16)25-20(17)24/h1-11,22H,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,21,6,20,22,3,7,8,24,11,5,19,23,4,10,12,9,16,13,18,25,17,14,15/rA:25nCCCCCCCCCCCCCOOCONCCCCCCO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s12;d13;s9s13;s12;d16;s16;s18;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H13NO4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.19028
Area:518.72
Solvation:-4.77773
Coulombic:-55.8999
Bond Count [?]
All:28
Single:17
Double:11
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:331.322
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.52
LogP (Chemaxon):3.89

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Descriptor Annotations

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