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Chemical ID: 7649962

Cc1ccc2c(c1)C3(c4ccccc4C(=O)O3)c5ccc(cc5O2)NC6CCCCC6

Chemical ID:

7649962

Name [?]:

None

SMILES [?]:

Cc1ccc2c(c1)C3(c4ccccc4C(=O)O3)c5ccc(cc5O2)NC6CCCCC6

InChi [?]:

InChI=1/C27H25NO3/c1-17-11-14-24-23(15-17)27(21-10-6-5-9-20(21)26(29)31-27)22-13-12-19(16-25(22)30-24)28-18-7-3-2-4-8-18/h5-6,9-16,18,28H,2-4,7-8H2,1H3

InChi Info:

AuxInfo=1/0/N:1,29,28,30,12,11,27,31,13,10,3,20,19,4,7,22,2,26,21,14,9,18,6,5,23,15,8,25,16,24,17/E:(3,4)(7,8)/rA:31cCCCCCCCCCCCCCCCOOCCCCCCONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s11;d12;d9s13;s14;d15;s8s15;s8;s18;d19;s20;d21;d18s22;s5s23;s21;s25;s26;s27;s28;s29;s26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₅NO₃
All Atoms:	56
Heavy Atoms:	31
Chiral Atoms:	None

ZAP Information [?]

Total:	12.2019
Area:	613.213
Solvation:	-3.12842
Coulombic:	-42.6642

Bond Count [?]

All:	36
Single:	26
Double:	10
Rotors:	2
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	6.56
LogP (Chemaxon):	None

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