Chemical ID: 6760849

COC(=O)c1ccc(cc1)N=c2cc(oc3c2cc(cc3)Cl)c4ccccc4
Chemical ID:
6760849
Name [?]:
methyl 4-(6-chloro-2-phenyl-chromen-4-ylidene)aminobenzoate
SMILES [?]:
COC(=O)c1ccc(cc1)N=c2cc(oc3c2cc(cc3)Cl)c4ccccc4
InChi [?]:
InChI=1/C23H16ClNO3/c1-27-23(26)16-7-10-18(11-8-16)25-20-14-22(15-5-3-2-4-6-15)28-21-12-9-17(24)13-19(20)21/h2-14H,1H3
InChi Info:
AuxInfo=1/0/N:1,26,25,27,24,28,6,10,20,7,9,21,18,13,23,5,19,8,17,12,16,14,3,22,11,4,2,15/E:(3,4)(5,6)(7,8)(10,11)/rA:28nCOCOCCCCCCNCCCOCCCCCCClCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;w11;s12;d13;s14;s15;s12s16;d17;s18;d19;d16s20;s19;s14;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H16ClNO3
All Atoms:44
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.4884
Area:613.214
Solvation:-2.84196
Coulombic:-36.1666
Bond Count [?]
All:31
Single:19
Double:12
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:389.831
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.85
LogP (Chemaxon):6.21

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