Chemical ID: 4085490

c1ccc(cc1)C(=O)C=Cc2ccc3c(c2)OCO3
Chemical ID:
4085490
Name [?]:
3-benzo[1,3]dioxol-5-yl-1-phenyl-prop-2-en-1-one
SMILES [?]:
c1ccc(cc1)C(=O)C=Cc2ccc3c(c2)OCO3
InChi [?]:
InChI=1/C16H12O3/c17-14(13-4-2-1-3-5-13)8-6-12-7-9-15-16(10-12)19-11-18-15/h1-10H,11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,10,12,9,13,16,18,11,4,7,14,15,8,19,17/E:(2,3)(4,5)/rA:19nCCCCCCCOCCCCCCCCOCO/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;w9;s10;s11;d12;s13;d14;d11s15;s15;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12O3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.11209
Area:429.051
Solvation:-3.61418
Coulombic:-26.8343
Bond Count [?]
All:21
Single:13
Double:8
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:252.265
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.6
LogP (Chemaxon):3.7

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Descriptor Annotations

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