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Chemical ID: 4582900

c1ccc(cc1)c2cc(=O)oc3c2ccc4c3CN(CO4)Cc5cccc(c5)Cl

Chemical ID:

4582900

Name [?]:

None

SMILES [?]:

c1ccc(cc1)c2cc(=O)oc3c2ccc4c3CN(CO4)Cc5cccc(c5)Cl

InChi [?]:

InChI=1/C24H18ClNO3/c25-18-8-4-5-16(11-18)13-26-14-21-22(28-15-26)10-9-19-20(12-23(27)29-24(19)21)17-6-2-1-3-7-17/h1-12H,13-15H2

InChi Info:

AuxInfo=1/0/N:1,2,6,25,24,3,5,26,14,15,28,8,22,18,20,23,4,27,13,7,17,16,9,12,29,19,10,21,11/E:(2,3)(6,7)/rA:29cCCCCCCCCCOOCCCCCCCNCOCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s9;s11;s7s12;d13;s14;d15;d12s16;s17;s18;s19;s16s20;s19;s22;s23;d24;s25;d26;d23s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₁₈ClNO₃
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	1

ZAP Information [?]

Total:	11.2904
Area:	608.819
Solvation:	-3.93008
Coulombic:	-34.3899

Bond Count [?]

All:	33
Single:	22
Double:	11
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	403.857
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	5.56
LogP (Chemaxon):	5.92

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