Chemical ID: 7397388

CCCN1C(c2c(=O)c3cc(c(cc3oc2C1=O)C)Cl)c4cccc(c4)O
Chemical ID:
7397388
Name [?]:
None
SMILES [?]:
CCCN1C(c2c(=O)c3cc(c(cc3oc2C1=O)C)Cl)c4cccc(c4)O
InChi [?]:
InChI=1/C21H18ClNO4/c1-3-7-23-18(12-5-4-6-13(24)9-12)17-19(25)14-10-15(22)11(2)8-16(14)27-20(17)21(23)26/h4-6,8-10,18,24H,3,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,2,23,22,24,3,13,26,10,12,21,25,9,11,14,6,5,7,16,17,20,4,27,8,18,15/rA:27cCCCNCCCOCCCCCCOCCOCClCCCCCCO/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s14;d6s15;s4s16;d17;s12;s11;s5;s21;d22;s23;d24;d21s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H18ClNO4
All Atoms:45
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:10.3659
Area:566.474
Solvation:-3.79598
Coulombic:-51.4688
Bond Count [?]
All:30
Single:21
Double:9
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:383.825
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.64
LogP (Chemaxon):4.17

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue