Chemical ID: 4757820

c1ccc2c(c1)-c3c(c(c(c(=O)[nH]3)C#N)c4ccccc4Cl)CO2
Chemical ID:
4757820
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)-c3c(c(c(c(=O)[nH]3)C#N)c4ccccc4Cl)CO2
InChi [?]:
InChI=1/C19H11ClN2O2/c20-15-7-3-1-5-11(15)17-13(9-21)19(23)22-18-12-6-2-4-8-16(12)24-10-14(17)18/h1-8H,10H2,(H,22,23)
InChi Info:
AuxInfo=1/1/N:18,1,19,2,17,6,20,3,14,23,16,5,10,8,21,4,9,7,11,22,15,13,12,24/rA:24nCCCCCCCCCCCONCNCCCCCCClCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s10;d11;s7s11;s10;t14;s9;s16;d17;s18;d19;d16s20;s21;s8;s4s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H11ClN2O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.31344
Area:496.284
Solvation:-3.09367
Coulombic:-34.0835
Bond Count [?]
All:27
Single:17
Double:9
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:334.756
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.48
LogP (Chemaxon):3.48

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Descriptor Annotations

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