Chemical ID: 6681515

c1c2c(cc(c1Br)Cl)[nH]cc2OC3C(C(C(C(O3)C(=O)O)O)O)O
Chemical ID:
6681515
Name [?]:
6-[(5-bromo-6-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
SMILES [?]:
c1c2c(cc(c1Br)Cl)[nH]cc2OC3C(C(C(C(O3)C(=O)O)O)O)O
InChi [?]:
InChI=1/C14H13BrClNO7/c15-5-1-4-7(2-6(5)16)17-3-8(4)23-14-11(20)9(18)10(19)12(24-14)13(21)22/h1-3,9-12,14,17-20H,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,4,10,2,6,5,3,11,15,16,14,17,19,13,7,8,9,23,22,24,20,21,12,18/E:(21,22)/rA:24cCCCCCCBrClNCCOCCCCCOCOOOOO/rB:s1;d2;s3;d4;d1s5;s6;s5;s3;s9;s2d10;s11;s12;s13;s14;s15;s16;s13s17;s17;d19;s19;s16;s15;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13BrClNO7
All Atoms:24
Heavy Atoms:24
Chiral Atoms:5
ZAP Information [?]
Total:6.13538
Area:525.353
Solvation:-6.99845
Coulombic:-105.023
Bond Count [?]
All:26
Single:21
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:422.612
H-Bond Donors:4
H-Bond Acceptors:7
XLogP:2.15
LogP (Chemaxon):2.12

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