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Chemical ID: 7705134

CCCCc1ccc(cc1)OCC(=O)NN=Cc2c3ccccc3ccc2OC(=O)c4ccccc4Cl

Chemical ID:

7705134

Name [?]:

None

SMILES [?]:

CCCCc1ccc(cc1)OCC(=O)NN=Cc2c3ccccc3ccc2OC(=O)c4ccccc4Cl

InChi [?]:

InChI=1/C30H27ClN2O4/c1-2-3-8-21-13-16-23(17-14-21)36-20-29(34)33-32-19-26-24-10-5-4-9-22(24)15-18-28(26)37-30(35)25-11-6-7-12-27(25)31/h4-7,9-19H,2-3,8,20H2,1H3,(H,33,34)

InChi Info:

AuxInfo=1/1/N:1,2,3,22,21,33,34,4,23,20,32,35,6,10,25,7,9,26,17,12,5,24,8,19,31,18,36,27,13,29,37,16,15,14,30,11,28/E:(13,14)(16,17)/rA:37nCCCCCCCCCCOCCONNCCCCCCCCCCCOCOCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;w16;s17;s18;s19;d20;s21;d22;d19s23;s24;d25;d18s26;s27;s28;d29;s29;s31;d32;s33;d34;d31s35;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₀H₂₇ClN₂O₄
All Atoms:	64
Heavy Atoms:	37
Chiral Atoms:	None

ZAP Information [?]

Total:	12.5807
Area:	763.719
Solvation:	-6.51227
Coulombic:	-48.2868

Bond Count [?]

All:	40
Single:	26
Double:	14
Rotors:	12
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	9.1
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