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Chemical ID: 6858334

Cc1ccc(cc1)c2c(c(=O)c3c(cc(cc3o2)C)C)OCc4ccc(cc4)[N+](=O)[O-]

Chemical ID:

6858334

Name [?]:

5,7-dimethyl-3-[(4-nitrophenyl)methoxy]-2-(p-tolyl)chromen-4-one

SMILES [?]:

Cc1ccc(cc1)c2c(c(=O)c3c(cc(cc3o2)C)C)OCc4ccc(cc4)[N+](=O)[O-]

InChi [?]:

InChI=1/C25H21NO5/c1-15-4-8-19(9-5-15)24-25(30-14-18-6-10-20(11-7-18)26(28)29)23(27)22-17(3)12-16(2)13-21(22)31-24/h4-13H,14H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,19,20,3,7,24,28,4,6,25,27,14,16,22,2,15,13,23,5,26,17,12,10,8,9,29,11,30,31,21,18/E:(4,5)(6,7)(8,9)(10,11)(28,29)/CRV:26.5/rA:31nCCCCCCCCCCOCCCCCCOCCOCCCCCCCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s10;s12;d13;s14;d15;d12s16;s8s17;s15;s13;s9;s21;s22;s23;d24;s25;d26;d23s27;s26;d29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₁NO₅
All Atoms:	52
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	7.47385
Area:	624.135
Solvation:	-8.12951
Coulombic:	-40.5663

Bond Count [?]

All:	34
Single:	22
Double:	12
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	415.438
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	6.66
LogP (Chemaxon):	6.5

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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