Chemical ID: 4149490

c1cc2c(c(c1)[N+](=O)[O-])C(=O)N(C2=O)CCC(=O)NCC3CCCO3
Chemical ID:
4149490
Name [?]:
3-(4-nitro-1,3-dioxo-isoindolin-2-yl)-N-(tetrahydrofuran-2-ylmethyl)propanamide
SMILES [?]:
c1cc2c(c(c1)[N+](=O)[O-])C(=O)N(C2=O)CCC(=O)NCC3CCCO3
InChi [?]:
InChI=1/C16H17N3O6/c20-13(17-9-10-3-2-8-25-10)6-7-18-15(21)11-4-1-5-12(19(23)24)14(11)16(18)22/h1,4-5,10H,2-3,6-9H2,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,23,22,2,6,16,15,24,20,21,3,5,17,4,13,10,19,12,7,18,14,11,8,9,25/E:(23,24)/CRV:19.5/rA:25cCCCCCCN+OO-CONCOCCCONCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;d10;s10;s3s12;d13;s12;s15;s16;d17;s17;s19;s20;s21;s22;s23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17N3O6
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:1.91496
Area:554.187
Solvation:-11.9397
Coulombic:-59.8898
Bond Count [?]
All:27
Single:20
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:347.323
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:0.59
LogP (Chemaxon):-0.08

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Descriptor Annotations

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