Chemical ID: 4606587

CCN(CC)c1ccc2c(c1)Oc3ccc(cc3C24c5ccccc5C(=O)O4)Nc6cccc(c6)Cl
Chemical ID:
4606587
Name [?]:
None
SMILES [?]:
CCN(CC)c1ccc2c(c1)Oc3ccc(cc3C24c5ccccc5C(=O)O4)Nc6cccc(c6)Cl
InChi [?]:
InChI=1/C30H25ClN2O3/c1-3-33(4-2)22-13-14-25-28(18-22)35-27-15-12-21(32-20-9-7-8-19(31)16-20)17-26(27)30(25)24-11-6-5-10-23(24)29(34)36-30/h5-18,32H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,23,22,32,33,31,24,21,15,7,8,14,35,17,11,34,30,16,6,25,20,9,18,13,10,26,19,36,29,3,27,12,28/E:(1,2)(3,4)/rA:36cCCNCCCCCCCCOCCCCCCCCCCCCCCOONCCCCCCCl/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s10;s12;s13;d14;s15;d16;d13s17;s9s18;s19;s20;d21;s22;d23;d20s24;s25;d26;s19s26;s16;s29;s30;d31;s32;d33;d30s34;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H25ClN2O3
All Atoms:36
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:14.3191
Area:720.841
Solvation:-3.70189
Coulombic:-48.3837
Bond Count [?]
All:41
Single:28
Double:13
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:496.984
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:7.54
LogP (Chemaxon):7.07

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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