Chemical ID: 5119066

c1ccc2c(c1)ccc3c2nc(cc3C(=O)O)c4ccc(cc4)Cl
Chemical ID:
5119066
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2nc(cc3C(=O)O)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C20H12ClNO2/c21-14-8-5-13(6-9-14)18-11-17(20(23)24)16-10-7-12-3-1-2-4-15(12)19(16)22-18/h1-11H,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,19,23,7,20,22,8,13,5,18,21,4,9,14,12,10,15,24,11,16,17/E:(5,6)(8,9)(23,24)/rA:24nCCCCCCCCCCNCCCCOOCCCCCCCl/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s12;s9d13;s14;d15;s15;s12;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H12ClNO2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.9433
Area:520.329
Solvation:-2.0649
Coulombic:-36.5623
Bond Count [?]
All:27
Single:16
Double:11
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:333.768
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.66
LogP (Chemaxon):5.26

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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