Molecular Properties | |
SMILES: | Nc1nc(N)c(N=O)c(OCC2CCCCC2)n1 |
MW: | 251.14 |
Fraction sp3: | 0.64 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 116.48 |
cLogP: | 2.0 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3745639642 |
MolPort: | MolPort-003-958-997 |
Nitroso compounds
Filter12_nitroso
aniline
nitroso
Nitrosone_not_nitro
AAR-POS-d2a4d1df-18
JOH-IMS-cc7b4c67-3
0.234
SID-ELM-8b394441-16
0.228
JOH-IMS-cc7b4c67-7
0.227
SID-ELM-b654bfa2-21
0.215
SID-ELM-2583a2cd-16
0.208
JOH-IMS-0f19a540-8
0.207
TRY-UNI-714a760b-1
0.200
SAN-PRS-52b81272-1
0.197
WAR-XCH-b6889685-43
0.195
SID-ELM-b654bfa2-16
0.193
MAR-TRE-92684b97-83
0.193
SID-ELM-b654bfa2-8
0.193
AAR-POS-d2a4d1df-12
0.192
PET-UNK-a17c93d1-1
0.192
SID-ELM-8b394441-17
0.190
SID-ELM-b654bfa2-10
0.189
MAR-TRE-0fda4e82-2
0.189
SID-ELM-8b394441-18
0.188
SID-ELM-8b394441-2
0.188
SID-ELM-8b394441-4
0.188
JOH-ILL-da934517-2
0.187
WAR-XCH-bdd24732-37
0.184
SID-ELM-2583a2cd-13
0.184
MAK-UNK-230cdef2-7
0.184
SID-ELM-2583a2cd-15
0.183
SID-ELM-b654bfa2-15
0.182
SID-ELM-8b394441-21
0.182
MAR-TRE-3724962b-27
0.182
MAR-TRE-0fda4e82-42
0.181
SID-ELM-8b394441-19
0.180
SAD-SAT-89668ff1-9
0.180
WAR-XCH-bdd24732-36
0.180
SID-ELM-b654bfa2-12
0.180
SID-ELM-8b394441-23
0.180
AAR-POS-d2a4d1df-13
0.179
VLA-UCB-34f3ed0c-14
0.179
ALE-HEI-f28a35b5-9
0.179
FRA-FAC-9ed5a63a-1
0.179
VLA-UNK-f702bf1c-6
0.179
SID-ELM-8b394441-22
0.178
AAR-UNI-c25c2f1e-96
0.178
NIM-UNI-bb9030bf-10
0.178
NIC-UNK-21c5e845-2
0.177
SID-ELM-b654bfa2-9
0.176
DAR-DIA-0587064e-14
0.176
SID-ELM-8b394441-20
0.176
WAR-XCH-bdd24732-13
0.175
EDG-MED-0da5ad92-4
0.175
ALE-HEI-f28a35b5-6
0.175
LYN-UNI-c2dd631d-2
0.175
TRY-UNI-714a760b-10
0.175
JOR-UNI-61e7b1d5-21
0.175
SAD-SAT-edc8a235-1
0.175
MAR-TRE-36bf7dba-68
0.174
JOR-UNI-61e7b1d5-20
0.173
MAK-UNK-f2409524-21
0.173
DAR-DIA-03336633-5
0.173
TRY-UNI-714a760b-7
0.173
SID-ELM-2583a2cd-19
0.173
SID-ELM-2583a2cd-3
0.172
SID-ELM-2583a2cd-2
0.172
MAR-TRE-14ce9fd6-1
0.172
MAR-TRE-fd17a9b8-96
0.172
ANT-OPE-3ffdc102-1
0.172
MAR-TRE-b77b7921-16
0.172
MIC-UNK-c66144cb-3
0.171
ALP-POS-3b848b35-4
0.171
MAK-UNK-c749d764-15
0.171
MAR-TRE-3724962b-13
0.171
CHA-KIN-ceadbd93-2
0.171
SID-ELM-2583a2cd-18
0.170
SID-ELM-b654bfa2-13
0.170
MAK-UNK-b2c98f02-4
0.170
JOR-UNI-61e7b1d5-19
0.170
ALF-EVA-0b412456-7
0.170
MAR-TRE-f5c2d31c-61
0.169
SID-ELM-2583a2cd-4
0.169
SID-ELM-b654bfa2-11
0.169
SID-ELM-b654bfa2-20
0.169
SID-ELM-8b394441-25
0.169
SID-ELM-8b394441-26
0.169
MAK-UNK-f2409524-3
0.169
DAR-DIA-0587064e-3
0.168
MAT-POS-53907a1c-2
0.168
MIC-UNK-bcd487e9-2
0.167
SID-ELM-8b394441-24
0.167
MAK-UNK-f2409524-37
0.167
MED-UNK-e6e8ef8a-8
0.167
SID-ELM-b654bfa2-14
0.167
NIC-UNK-21c5e845-1
0.167
VLA-UCB-1dbca3b4-12
0.167
SAD-SAT-cefd50cc-4
0.167
SID-ELM-2583a2cd-21
0.167
DAR-DIA-eace69ff-13
0.167
YIA-UNI-f2fa0570-1
0.165
MAT-POS-5369c344-1
0.165
DAR-DIA-0587064e-15
0.165
MAK-UNK-f2409524-32
0.165
MAR-TRE-b77b7921-22
0.165
UNK-CYC-68f84b31-1
0.165