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Chemical ID: 6876887

CCc1ccc2c(c1)c(=Nc3cccc(c3)Cl)cc(o2)c4ccc(cc4)OC

Chemical ID:

6876887

Name [?]:

N-(3-chlorophenyl)-6-ethyl-2-(4-methoxyphenyl)-chromen-4-imine

SMILES [?]:

CCc1ccc2c(c1)c(=Nc3cccc(c3)Cl)cc(o2)c4ccc(cc4)OC

InChi [?]:

InChI=1/C24H20ClNO2/c1-3-16-7-12-23-21(13-16)22(26-19-6-4-5-18(25)14-19)15-24(28-23)17-8-10-20(27-2)11-9-17/h4-15H,3H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,28,2,13,14,12,4,22,26,23,25,5,8,16,18,3,21,15,11,24,7,9,6,19,17,10,27,20/E:(8,9)(10,11)/rA:28nCCCCCCCCCNCCCCCCClCCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;s11;d12;s13;d14;d11s15;s15;s9;d18;s6s19;s19;s21;d22;s23;d24;d21s25;s24;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₀ClNO₂
All Atoms:	48
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	12.3133
Area:	619.998
Solvation:	-3.18662
Coulombic:	-23.9242

Bond Count [?]

All:	31
Single:	20
Double:	11
Rotors:	4
Chiral:	1
Rigid Segments:	5

Chemical Properties

Molecular Weight:	389.874
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	6.73
LogP (Chemaxon):	7.27

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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

Chemical Mix	Source	External ID	Descriptor	Value