Chemical ID: 6715030

COC(=O)c1ccc(cc1)NC(=O)C2C3CC(C2C(=O)[O-])C=C3
Chemical ID:
6715030
Name [?]:
6-[(4-methoxycarbonylphenyl)carbamoyl]bicyclo[2.2.1]hept-2-ene-5-carboxylate
SMILES [?]:
COC(=O)c1ccc(cc1)NC(=O)C2C3CC(C2C(=O)[O-])C=C3
InChi [?]:
InChI=1/C17H17NO5/c1-23-17(22)9-4-6-12(7-5-9)18-15(19)13-10-2-3-11(8-10)14(13)16(20)21/h2-7,10-11,13-14H,8H2,1H3,(H,18,19)(H,20,21)/p-1
InChi Info:
AuxInfo=1/1/N:1,23,22,6,10,7,9,16,5,15,17,8,14,18,12,19,3,11,13,20,21,4,2/E:(4,5)(6,7)(20,21)/rA:23cCOCOCCCCCCNCOCCCCCCOO-CC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s15;s16;s14s17;s18;d19;s19;s17;s15d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16NO5-
All Atoms:23
Heavy Atoms:23
Chiral Atoms:4
ZAP Information [?]
Total:-29.435
Area:501.601
Solvation:-41.9751
Coulombic:-42.1881
Bond Count [?]
All:25
Single:18
Double:7
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:314.313
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.07
LogP (Chemaxon):1.63

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